============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. TYR 19 0.840 4.430 38.380 17.772 -99.200 -91.000 PHE 30 1.000 4.229 23.746 11.650 -99.200 -91.000 HIS 32 0.900 1.939 22.742 5.585 -99.200 -91.000 HIS 34 0.900 2.104 26.646 -2.320 -99.200 -91.000 PHE 38 1.000 -0.240 22.582 -4.246 -99.200 -91.000 PHE 59 1.000 -6.890 27.575 9.495 -99.200 -91.000 PHE 63 1.000 -1.880 30.684 7.275 -99.200 -91.000 TRP 65 1.040 1.264 32.545 1.141 -99.200 -91.000 TRP6 65 1.020 -0.531 31.022 0.880 -99.200 -91.000 PHE 90 1.000 1.594 34.714 -3.866 -99.200 -91.000 TYR 93 0.840 -5.750 30.666 -2.022 -99.200 -91.000 HIS 109 0.900 11.380 27.200 -4.495 -99.200 -91.000 PHE 113 1.000 13.901 35.378 -14.896 -99.200 -91.000 PHE 119 1.000 12.067 24.922 -8.613 -99.200 -91.000 TYR 120 0.840 14.593 21.300 -8.116 -99.200 -91.000 HIS 136 0.900 18.666 36.004 -21.110 -99.200 -91.000 HIS 137 0.900 19.072 43.997 -14.527 -99.200 -91.000 TYR 143 0.840 9.768 35.840 -11.149 -99.200 -91.000 PHE 166 1.000 10.850 38.606 -2.153 -99.200 -91.000 TRP 169 1.040 17.539 36.450 -5.340 -99.200 -91.000 TRP6 169 1.020 16.814 35.601 -7.430 -99.200 -91.000 HIS 170 0.900 14.987 29.089 -1.631 -99.200 -91.000 TRP 176 1.040 19.697 22.966 -3.796 -99.200 -91.000 TRP6 176 1.020 21.424 22.275 -2.333 -99.200 -91.000 PHE 177 1.000 16.743 25.945 -5.113 -99.200 -91.000 TRP 178 1.040 17.710 29.930 -12.047 -99.200 -91.000 TRP6 178 1.020 18.100 32.243 -11.748 -99.200 -91.000 TRP 179 1.040 18.852 30.929 -6.058 -99.200 -91.000 TRP6 179 1.020 16.839 30.224 -7.084 -99.200 -91.000 TYR 183 0.840 25.092 26.645 -10.987 -99.200 -91.000 TYR 189 0.840 23.106 35.050 -2.807 -99.200 -91.000 TYR 193 0.840 18.926 39.089 -0.164 -99.200 -91.000 PHE 195 1.000 18.038 44.903 -9.780 -99.200 -91.000 TYR 199 0.840 13.042 47.023 -10.075 -99.200 -91.000 PHE 209 1.000 7.650 42.089 -0.409 -99.200 -91.000 TYR 211 0.840 13.319 43.239 1.341 -99.200 -91.000 TRP 213 1.040 21.555 35.594 2.888 -99.200 -91.000 TRP6 213 1.020 22.989 34.998 4.669 -99.200 -91.000 PHE 219 1.000 25.620 27.411 6.262 -99.200 -91.000 TYR 226 0.840 24.366 31.947 8.435 -99.200 -91.000 TYR 230 0.840 24.882 39.604 6.475 -99.200 -91.000 PHE 235 1.000 22.014 46.007 0.698 -99.200 -91.000 TYR 244 0.840 13.756 20.449 4.000 -99.200 -91.000 PHE 252 1.000 19.045 16.790 11.886 -99.200 -91.000 PHE 276 1.000 15.345 24.496 11.501 -99.200 -91.000 PHE 279 1.000 10.433 22.162 10.887 -99.200 -91.000 TRP 295 1.040 13.489 14.366 11.893 -99.200 -91.000 TRP6 295 1.020 12.763 16.530 11.264 -99.200 -91.000 PHE 296 1.000 7.562 16.404 12.033 -99.200 -91.000 TYR 314 0.840 10.128 32.583 10.279 -99.200 -91.000 TRP 318 1.040 8.415 22.927 0.149 -99.200 -91.000 TRP6 318 1.020 9.006 25.184 0.562 -99.200 -91.000 PHE 321 1.000 4.450 20.782 -3.284 -99.200 -91.000 HIS 326 0.900 2.377 13.405 2.836 -99.200 -91.000 PHE 327 1.000 8.597 18.170 2.574 -99.200 -91.000 PHE 339 1.000 2.663 18.438 12.538 -99.200 -91.000 TYR 342 0.840 6.783 20.848 15.986 -99.200 -91.000 PHE 347 1.000 10.402 27.320 22.562 -99.200 -91.000 PHE 350 1.000 0.826 24.690 15.606 -99.200 -91.000 PHE 358 1.000 0.793 41.537 11.168 -99.200 -91.000 HIS 372 0.900 25.157 47.762 -3.563 -99.200 -91.000 TYR 416 0.840 20.396 59.140 -9.338 -99.200 -91.000 TRP 421 1.040 22.591 50.365 -9.965 -99.200 -91.000 TRP6 421 1.020 21.404 49.267 -11.696 -99.200 -91.000 TRP 422 1.040 25.444 58.305 -8.017 -99.200 -91.000 TRP6 422 1.020 26.163 60.512 -8.478 -99.200 -91.000 TRP 426 1.040 36.397 49.981 -17.102 -99.200 -91.000 TRP6 426 1.020 36.190 47.850 -16.092 -99.200 -91.000 TYR 429 0.840 43.550 40.345 -11.445 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bvyA1 THR 5 HA 0.03 0.05 0.32 -0.75 4.39 4.02 2bvyA1 THR 5 HB 0.02 -0.04 -0.00 -0.04 4.32 4.25 2bvyA1 THR 5 HG23 0.02 0.01 -0.36 -0.04 1.22 0.84 2bvyA1 ILE 6 H 0.03 0.53 0.28 -0.55 8.25 8.54 2bvyA1 ILE 6 HA 0.04 0.25 1.05 -0.75 4.18 4.76 2bvyA1 ILE 6 HB 0.05 0.08 -0.03 -0.04 1.89 1.95 2bvyA1 ILE 6 HG12 0.05 0.02 -0.08 -0.04 1.49 1.44 2bvyA1 ILE 6 HG13 0.05 -0.09 -0.25 -0.04 1.21 0.88 2bvyA1 ILE 6 HG23 0.04 0.00 -0.19 -0.04 0.93 0.74 2bvyA1 ILE 6 HD13 0.07 -0.01 -0.13 -0.04 0.88 0.77 2bvyA1 ALA 7 H 0.04 0.29 0.17 -0.55 8.40 8.36 2bvyA1 ALA 7 HA 0.03 0.03 0.60 -0.75 4.34 4.24 2bvyA1 ALA 7 HB3 0.04 0.05 0.14 -0.04 1.41 1.60 2bvyA1 ILE 8 H 0.04 0.28 0.16 -0.55 8.25 8.18 2bvyA1 ILE 8 HA 0.09 0.16 0.89 -0.75 4.18 4.57 2bvyA1 ILE 8 HB 0.08 0.05 -0.21 -0.04 1.89 1.77 2bvyA1 ILE 8 HG12 0.11 -0.21 -0.28 -0.04 1.49 1.07 2bvyA1 ILE 8 HG13 0.13 -0.06 0.02 -0.04 1.21 1.25 2bvyA1 ILE 8 HG23 0.05 0.02 -0.10 -0.04 0.93 0.86 2bvyA1 ILE 8 HD13 0.10 0.02 -0.13 -0.04 0.88 0.83 2bvyA1 VAL 9 H 0.13 0.13 -0.01 -0.55 8.24 7.94 2bvyA1 VAL 9 HA 0.01 0.14 0.22 -0.75 4.13 3.75 2bvyA1 VAL 9 HB 0.29 -0.12 -0.01 -0.04 2.12 2.24 2bvyA1 VAL 9 HG13 -0.05 0.08 -0.17 -0.04 0.97 0.79 2bvyA1 VAL 9 HG23 0.15 0.04 -0.51 -0.04 0.95 0.59 2bvyA1 ASP 10 H 0.15 0.08 -0.31 -0.55 8.40 7.77 2bvyA1 ASP 10 HA 0.06 0.15 0.81 -0.75 4.63 4.90 2bvyA1 ASP 10 HB2 0.21 0.02 -0.01 -0.04 2.71 2.89 2bvyA1 ASP 10 HB3 0.13 -0.01 0.12 -0.04 2.70 2.91 2bvyA1 ALA 11 H 0.02 0.26 0.01 -0.55 8.40 8.14 2bvyA1 ALA 11 HA 0.03 0.12 0.34 -0.75 4.34 4.08 2bvyA1 ALA 11 HB3 0.01 0.02 0.09 -0.04 1.41 1.48 2bvyA1 ASP 12 H 0.02 0.01 -0.51 -0.55 8.40 7.37 2bvyA1 ASP 12 HA 0.01 0.25 0.92 -0.75 4.63 5.06 2bvyA1 ASP 12 HB2 -0.00 -0.01 0.06 -0.04 2.71 2.72 2bvyA1 ASP 12 HB3 -0.01 0.00 0.16 -0.04 2.70 2.81 2bvyA1 ALA 13 H 0.03 0.35 -0.26 -0.55 8.40 7.97 2bvyA1 ALA 13 HA 0.02 0.08 0.73 -0.75 4.34 4.41 2bvyA1 ALA 13 HB3 0.06 -0.02 0.09 -0.04 1.41 1.50 2bvyA1 THR 14 H -0.01 0.46 0.30 -0.55 8.28 8.48 2bvyA1 THR 14 HA -0.01 0.11 0.41 -0.75 4.39 4.15 2bvyA1 THR 14 HB -0.03 -0.05 0.20 -0.04 4.32 4.39 2bvyA1 THR 14 HG23 -0.05 0.08 0.04 -0.04 1.22 1.25 2bvyA1 ALA 15 H 0.00 0.14 0.21 -0.55 8.40 8.21 2bvyA1 ALA 15 HA 0.03 0.17 0.45 -0.75 4.34 4.24 2bvyA1 ALA 15 HB3 0.02 0.03 0.13 -0.04 1.41 1.54 2bvyA1 GLU 16 H 0.00 0.05 -0.09 -0.55 8.60 8.01 2bvyA1 GLU 16 HA 0.13 0.23 0.51 -0.75 4.29 4.41 2bvyA1 GLU 16 HB2 -0.10 -0.02 0.11 -0.04 2.09 2.05 2bvyA1 GLU 16 HB3 -0.21 0.01 0.04 -0.04 1.99 1.80 2bvyA1 GLU 16 HG2 -0.14 0.04 0.06 -0.04 2.34 2.26 2bvyA1 GLU 16 HG3 0.02 0.15 0.11 -0.04 2.34 2.58 2bvyA1 THR 17 H 0.02 0.09 -0.30 -0.55 8.28 7.54 2bvyA1 THR 17 HA 0.11 0.01 0.33 -0.75 4.39 4.08 2bvyA1 THR 17 HB 0.05 0.22 0.03 -0.04 4.32 4.58 2bvyA1 THR 17 HG23 0.09 -0.01 -0.30 -0.04 1.22 0.97 2bvyA1 ARG 18 H 0.07 0.52 -0.19 -0.55 8.46 8.30 2bvyA1 ARG 18 HA 0.09 -0.00 0.29 -0.75 4.34 3.96 2bvyA1 ARG 18 HB2 0.06 0.10 0.05 -0.04 1.90 2.06 2bvyA1 ARG 18 HB3 0.06 -0.02 -0.12 -0.04 1.80 1.67 2bvyA1 ARG 18 HG2 0.06 -0.08 -0.07 -0.04 1.67 1.54 2bvyA1 ARG 18 HG3 0.05 0.26 -0.12 -0.04 1.67 1.82 2bvyA1 ARG 18 HD2 0.04 -0.07 -0.19 -0.04 3.22 2.95 2bvyA1 ARG 18 HD3 0.03 0.06 0.00 -0.04 3.22 3.27 2bvyA1 SER 19 H 0.11 0.42 -0.41 -0.55 8.46 8.03 2bvyA1 SER 19 HA 0.09 -0.05 0.36 -0.75 4.49 4.14 2bvyA1 SER 19 HB2 0.09 0.25 0.06 -0.04 3.95 4.32 2bvyA1 SER 19 HB3 0.17 0.11 0.26 -0.04 3.93 4.43 2bvyA1 LEU 20 H 0.22 0.56 -0.03 -0.55 8.37 8.58 2bvyA1 LEU 20 HA 0.07 0.06 0.38 -0.75 4.35 4.10 2bvyA1 LEU 20 HB2 0.47 0.00 0.02 -0.04 1.64 2.09 2bvyA1 LEU 20 HB3 0.23 0.08 0.10 -0.04 1.64 2.01 2bvyA1 LEU 20 HG 0.16 -0.02 -0.34 -0.04 1.64 1.40 2bvyA1 LEU 20 HD13 0.04 -0.02 -0.07 -0.04 0.93 0.84 2bvyA1 LEU 20 HD23 0.25 -0.02 -0.18 -0.04 0.89 0.91 2bvyA1 LEU 21 H 0.14 0.54 -0.22 -0.55 8.37 8.28 2bvyA1 LEU 21 HA 0.13 -0.07 0.27 -0.75 4.35 3.93 2bvyA1 LEU 21 HB2 0.12 0.06 0.06 -0.04 1.64 1.84 2bvyA1 LEU 21 HB3 0.10 0.13 -0.04 -0.04 1.64 1.79 2bvyA1 LEU 21 HG 0.14 -0.14 -0.01 -0.04 1.64 1.59 2bvyA1 LEU 21 HD13 0.11 0.01 -0.03 -0.04 0.93 0.97 2bvyA1 LEU 21 HD23 0.12 0.01 0.00 -0.04 0.89 0.98 2bvyA1 SER 22 H 0.11 0.46 -0.33 -0.55 8.46 8.16 2bvyA1 SER 22 HA 0.07 0.02 0.38 -0.75 4.49 4.21 2bvyA1 SER 22 HB2 0.07 0.01 0.05 -0.04 3.95 4.04 2bvyA1 SER 22 HB3 0.09 0.15 0.18 -0.04 3.93 4.31 2bvyA1 TYR 23 H 0.18 0.80 0.02 -0.55 8.29 8.75 2bvyA1 TYR 23 HA -0.00 -0.01 0.39 -0.75 4.56 4.18 2bvyA1 TYR 23 HB2 -0.05 0.08 0.16 -0.04 3.06 3.21 2bvyA1 TYR 23 HB3 -0.05 0.08 0.21 -0.04 2.98 3.18 2bvyA1 TYR 23 HD2 -0.06 0.01 -0.11 -0.04 7.15 6.96 2bvyA1 TYR 23 HE2 -0.05 0.02 -0.08 -0.04 6.85 6.69 2bvyA1 LEU 24 H 0.15 0.78 -0.07 -0.55 8.37 8.68 2bvyA1 LEU 24 HA -0.03 -0.01 0.35 -0.75 4.35 3.90 2bvyA1 LEU 24 HB2 0.13 0.14 0.07 -0.04 1.64 1.94 2bvyA1 LEU 24 HB3 0.15 -0.11 -0.05 -0.04 1.64 1.59 2bvyA1 LEU 24 HG 0.18 0.18 -0.05 -0.04 1.64 1.92 2bvyA1 LEU 24 HD13 0.17 -0.04 -0.18 -0.04 0.93 0.84 2bvyA1 LEU 24 HD23 0.16 -0.03 -0.10 -0.04 0.89 0.88 2bvyA1 ASP 25 H 0.04 0.50 -0.27 -0.55 8.40 8.12 2bvyA1 ASP 25 HA 0.02 -0.03 0.51 -0.75 4.63 4.38 2bvyA1 ASP 25 HB2 0.05 0.00 0.05 -0.04 2.71 2.78 2bvyA1 ASP 25 HB3 0.03 0.11 0.12 -0.04 2.70 2.91 2bvyA1 GLY 26 H -0.05 0.50 -0.08 -0.55 8.43 8.25 2bvyA1 GLY 26 HA2 -0.04 0.03 0.43 -0.51 4.01 3.92 2bvyA1 GLY 26 HA3 -0.07 -0.02 0.32 -0.51 4.01 3.73 2bvyA1 VAL 27 H -0.22 0.39 -0.29 -0.55 8.24 7.56 2bvyA1 VAL 27 HA -0.20 -0.00 0.50 -0.75 4.13 3.68 2bvyA1 VAL 27 HB -0.37 0.12 0.14 -0.04 2.12 1.96 2bvyA1 VAL 27 HG13 -0.11 0.04 -0.02 -0.04 0.97 0.84 2bvyA1 VAL 27 HG23 -0.44 -0.04 -0.00 -0.04 0.95 0.42 2bvyA1 ARG 28 H -0.06 0.29 -0.38 -0.55 8.46 7.76 2bvyA1 ARG 28 HA -0.01 0.02 0.24 -0.75 4.34 3.84 2bvyA1 ARG 28 HB2 -0.00 0.24 0.15 -0.04 1.90 2.25 2bvyA1 ARG 28 HB3 0.01 -0.10 -0.12 -0.04 1.80 1.55 2bvyA1 ARG 28 HG2 0.01 -0.14 -0.20 -0.04 1.67 1.30 2bvyA1 ARG 28 HG3 0.00 0.21 0.18 -0.04 1.67 2.03 2bvyA1 ARG 28 HD2 0.01 0.39 -0.21 -0.04 3.22 3.38 2bvyA1 ARG 28 HD3 0.02 -0.19 0.19 -0.04 3.22 3.21 2bvyA1 GLY 29 H 0.08 0.31 0.19 -0.55 8.43 8.46 2bvyA1 GLY 29 HA2 0.16 -0.02 0.10 -0.51 4.01 3.75 2bvyA1 GLY 29 HA3 0.07 0.10 0.57 -0.51 4.01 4.23 2bvyA1 GLU 30 H -0.00 0.47 -0.50 -0.55 8.60 8.02 2bvyA1 GLU 30 HA 0.08 0.01 0.64 -0.75 4.29 4.27 2bvyA1 GLU 30 HB2 -0.09 0.16 0.19 -0.04 2.09 2.31 2bvyA1 GLU 30 HB3 -0.04 -0.12 0.02 -0.04 1.99 1.81 2bvyA1 GLU 30 HG2 -0.02 0.19 -0.15 -0.04 2.34 2.32 2bvyA1 GLU 30 HG3 -0.03 -0.01 0.02 -0.04 2.34 2.27 2bvyA1 GLY 31 H -0.24 0.65 0.29 -0.55 8.43 8.59 2bvyA1 GLY 31 HA2 -1.56 0.10 0.59 -0.51 4.01 2.63 2bvyA1 GLY 31 HA3 -0.43 0.00 0.32 -0.51 4.01 3.39 2bvyA1 ILE 32 H -0.66 0.67 0.33 -0.55 8.25 8.04 2bvyA1 ILE 32 HA -0.11 0.35 1.03 -0.75 4.18 4.70 2bvyA1 ILE 32 HB 0.00 0.09 -0.10 -0.04 1.89 1.84 2bvyA1 ILE 32 HG12 0.10 -0.04 -0.33 -0.04 1.49 1.17 2bvyA1 ILE 32 HG13 0.06 0.10 -0.54 -0.04 1.21 0.79 2bvyA1 ILE 32 HG23 0.03 -0.03 -0.07 -0.04 0.93 0.82 2bvyA1 ILE 32 HD13 0.13 -0.02 -0.29 -0.04 0.88 0.65 2bvyA1 LEU 33 H 0.05 0.74 0.37 -0.55 8.37 8.99 2bvyA1 LEU 33 HA 0.00 0.15 0.68 -0.75 4.35 4.42 2bvyA1 LEU 33 HB2 0.12 -0.15 0.05 -0.04 1.64 1.62 2bvyA1 LEU 33 HB3 0.03 -0.05 -0.05 -0.04 1.64 1.53 2bvyA1 LEU 33 HG 0.10 0.12 0.02 -0.04 1.64 1.84 2bvyA1 LEU 33 HD13 0.12 -0.02 -0.13 -0.04 0.93 0.86 2bvyA1 LEU 33 HD23 0.03 -0.00 -0.12 -0.04 0.89 0.75 2bvyA1 PHE 34 H -0.08 0.65 0.42 -0.55 8.34 8.78 2bvyA1 PHE 34 HA 0.08 0.23 0.87 -0.75 4.62 5.04 2bvyA1 PHE 34 HB2 -0.17 0.07 0.08 -0.04 3.15 3.08 2bvyA1 PHE 34 HB3 -0.96 -0.02 0.16 -0.04 3.06 2.20 2bvyA1 PHE 34 HD2 0.06 -0.02 -0.02 -0.04 7.28 7.26 2bvyA1 PHE 34 HE2 0.27 -0.10 -0.06 -0.04 7.38 7.46 2bvyA1 PHE 34 HZ 0.01 -0.11 -0.03 -0.04 7.32 7.14 2bvyA1 GLY 35 H -0.55 0.70 0.47 -0.55 8.43 8.50 2bvyA1 GLY 35 HA2 -0.37 0.20 1.07 -0.51 4.01 4.40 2bvyA1 GLY 35 HA3 -0.23 -0.02 0.20 -0.51 4.01 3.44 2bvyA1 HIS 36 H -0.34 0.61 0.32 -0.55 8.41 8.46 2bvyA1 HIS 36 HA -0.34 0.25 0.91 -0.75 4.63 4.70 2bvyA1 HIS 36 HB2 -0.18 0.05 -0.13 -0.04 3.26 2.96 2bvyA1 HIS 36 HB3 -0.28 -0.05 0.12 -0.04 3.20 2.94 2bvyA1 HIS 36 HD2 -0.15 0.14 -0.12 -0.04 6.97 6.80 2bvyA1 HIS 36 HE1 -0.07 -0.04 0.09 -0.04 7.75 7.68 2bvyA1 GLN 37 H -0.48 0.45 0.13 -0.55 8.47 8.03 2bvyA1 GLN 37 HA -0.77 0.08 0.62 -0.75 4.36 3.54 2bvyA1 GLN 37 HB2 -1.21 0.11 0.04 -0.04 2.15 1.04 2bvyA1 GLN 37 HB3 -1.28 -0.17 0.06 -0.04 2.02 0.60 2bvyA1 GLN 37 HG2 -2.17 -0.09 -0.08 -0.04 2.40 0.02 2bvyA1 GLN 37 HG3 -0.93 0.06 -0.20 -0.04 2.39 1.27 2bvyA1 GLN 37 HE21 -0.23 0.27 -0.42 -0.04 6.97 6.55 2bvyA1 GLN 37 HE22 -0.47 -0.07 -0.26 -0.04 7.69 6.85 2bvyA1 HIS 38 H -0.93 0.82 0.38 -0.55 8.41 8.13 2bvyA1 HIS 38 HA -0.30 0.08 0.42 -0.75 4.63 4.08 2bvyA1 HIS 38 HB2 -0.37 0.04 -0.24 -0.04 3.26 2.65 2bvyA1 HIS 38 HB3 0.25 -0.08 0.23 -0.04 3.20 3.55 2bvyA1 HIS 38 HD2 -0.33 -0.07 -0.13 -0.04 6.97 6.39 2bvyA1 HIS 38 HE1 0.14 0.07 -0.01 -0.04 7.75 7.91 2bvyA1 THR 39 H -0.64 0.25 -0.23 -0.55 8.28 7.11 2bvyA1 THR 39 HA -0.23 0.07 0.35 -0.75 4.39 3.82 2bvyA1 THR 39 HB -0.42 0.18 0.07 -0.04 4.32 4.10 2bvyA1 THR 39 HG23 -0.62 0.02 -0.10 -0.04 1.22 0.49 2bvyA1 THR 40 H 0.09 0.05 -0.27 -0.55 8.28 7.60 2bvyA1 THR 40 HA 0.16 0.59 1.09 -0.75 4.39 5.48 2bvyA1 THR 40 HB 0.17 -0.29 -0.06 -0.04 4.32 4.10 2bvyA1 THR 40 HG23 0.40 0.04 -0.38 -0.04 1.22 1.24 2bvyA1 SER 41 H 0.24 0.24 -0.23 -0.55 8.46 8.16 2bvyA1 SER 41 HA 0.24 0.16 0.94 -0.75 4.49 5.08 2bvyA1 SER 41 HB2 0.03 0.00 -0.20 -0.04 3.95 3.74 2bvyA1 SER 41 HB3 0.61 0.00 -0.13 -0.04 3.93 4.37 2bvyA1 PHE 42 H 0.17 0.47 0.13 -0.55 8.34 8.56 2bvyA1 PHE 42 HA 0.03 0.15 0.86 -0.75 4.62 4.91 2bvyA1 PHE 42 HB2 -0.13 -0.04 0.09 -0.04 3.15 3.04 2bvyA1 PHE 42 HB3 -0.05 0.18 -0.22 -0.04 3.06 2.92 2bvyA1 PHE 42 HD2 -0.16 0.05 0.01 -0.04 7.28 7.14 2bvyA1 PHE 42 HE2 -0.21 0.01 0.02 -0.04 7.38 7.17 2bvyA1 PHE 42 HZ -0.05 -0.04 0.08 -0.04 7.32 7.27 2bvyA1 GLY 43 H 0.12 0.33 0.16 -0.55 8.43 8.49 2bvyA1 GLY 43 HA2 0.07 0.08 0.71 -0.51 4.01 4.35 2bvyA1 GLY 43 HA3 0.05 -0.04 0.29 -0.51 4.01 3.80 2bvyA1 LEU 44 H -0.03 0.12 0.15 -0.55 8.37 8.07 2bvyA1 LEU 44 HA -0.01 0.24 0.78 -0.75 4.35 4.60 2bvyA1 LEU 44 HB2 -0.14 0.02 -0.02 -0.04 1.64 1.46 2bvyA1 LEU 44 HB3 -0.11 0.03 0.04 -0.04 1.64 1.56 2bvyA1 LEU 44 HG -0.15 -0.04 -0.14 -0.04 1.64 1.27 2bvyA1 LEU 44 HD13 -0.66 0.02 -0.25 -0.04 0.93 0.00 2bvyA1 LEU 44 HD23 -0.03 0.01 -0.45 -0.04 0.89 0.38 2bvyA1 THR 45 H -0.02 -0.05 -0.00 -0.55 8.28 7.66 2bvyA1 THR 45 HA -0.02 0.30 0.92 -0.75 4.39 4.84 2bvyA1 THR 45 HB -0.02 0.09 0.11 -0.04 4.32 4.46 2bvyA1 THR 45 HG23 -0.04 -0.00 -0.11 -0.04 1.22 1.03 2bvyA1 THR 46 H 0.01 -0.05 -0.24 -0.55 8.28 7.45 2bvyA1 THR 46 HA 0.01 0.18 0.53 -0.75 4.39 4.36 2bvyA1 THR 46 HB 0.03 0.09 -0.19 -0.04 4.32 4.21 2bvyA1 THR 46 HG23 0.02 -0.02 -0.36 -0.04 1.22 0.83 2bvyA1 GLY 47 H 0.01 -0.06 -0.25 -0.55 8.43 7.58 2bvyA1 GLY 47 HA2 0.01 -0.01 0.20 -0.51 4.01 3.70 2bvyA1 GLY 47 HA3 0.01 0.18 0.53 -0.51 4.01 4.22 2bvyA1 PRO 48 HA 0.00 -0.04 0.37 -0.51 4.44 4.26 2bvyA1 PRO 48 HB2 0.01 0.04 -0.00 -0.04 2.28 2.29 2bvyA1 PRO 48 HB3 0.01 0.03 0.07 -0.04 2.02 2.09 2bvyA1 PRO 48 HG2 0.01 0.04 0.07 -0.04 2.03 2.10 2bvyA1 PRO 48 HG3 0.01 0.01 0.09 -0.04 2.03 2.10 2bvyA1 PRO 48 HD2 0.01 0.15 0.14 -0.04 3.68 3.95 2bvyA1 PRO 48 HD3 0.01 0.06 0.18 -0.04 3.65 3.85 2bvyA1 THR 49 H -0.00 0.07 0.18 -0.55 8.28 7.98 2bvyA1 THR 49 HA 0.04 0.20 0.85 -0.75 4.39 4.73 2bvyA1 THR 49 HB 0.10 0.13 0.12 -0.04 4.32 4.63 2bvyA1 THR 49 HG23 0.03 -0.03 -0.36 -0.04 1.22 0.82 2bvyA1 ASP 50 H 0.02 -0.03 0.25 -0.55 8.40 8.10 2bvyA1 ASP 50 HA 0.12 0.19 0.74 -0.75 4.63 4.93 2bvyA1 ASP 50 HB2 0.00 0.03 0.15 -0.04 2.71 2.85 2bvyA1 ASP 50 HB3 0.03 0.08 -0.16 -0.04 2.70 2.60 2bvyA1 GLY 51 H -0.09 0.28 0.25 -0.55 8.43 8.33 2bvyA1 GLY 51 HA2 -0.37 -0.00 0.31 -0.51 4.01 3.43 2bvyA1 GLY 51 HA3 -1.17 0.15 0.56 -0.51 4.01 3.05 2bvyA1 THR 52 H -0.01 -0.14 -0.03 -0.55 8.28 7.55 2bvyA1 THR 52 HA 0.06 0.30 0.98 -0.75 4.39 4.98 2bvyA1 THR 52 HB 0.05 0.03 0.07 -0.04 4.32 4.44 2bvyA1 THR 52 HG23 -0.05 0.05 -0.26 -0.04 1.22 0.91 2bvyA1 THR 53 H 0.12 -0.03 0.17 -0.55 8.28 7.99 2bvyA1 THR 53 HA 0.20 0.25 0.94 -0.75 4.39 5.02 2bvyA1 THR 53 HB 0.04 -0.01 0.00 -0.04 4.32 4.32 2bvyA1 THR 53 HG23 0.07 0.03 -0.13 -0.04 1.22 1.15 2bvyA1 SER 54 H -0.07 0.26 0.13 -0.55 8.46 8.24 2bvyA1 SER 54 HA 0.05 0.33 0.83 -0.75 4.49 4.95 2bvyA1 SER 54 HB2 0.13 0.17 -0.32 -0.04 3.95 3.90 2bvyA1 SER 54 HB3 -0.20 -0.04 -0.04 -0.04 3.93 3.61 2bvyA1 ASP 55 H 0.04 0.33 0.23 -0.55 8.40 8.46 2bvyA1 ASP 55 HA -0.03 0.09 0.44 -0.75 4.63 4.38 2bvyA1 ASP 55 HB2 0.02 0.06 0.18 -0.04 2.71 2.93 2bvyA1 ASP 55 HB3 -0.05 0.14 -0.00 -0.04 2.70 2.74 2bvyA1 VAL 56 H 0.02 0.08 -0.14 -0.55 8.24 7.65 2bvyA1 VAL 56 HA 0.08 0.12 0.37 -0.75 4.13 3.94 2bvyA1 VAL 56 HB 0.10 -0.05 0.07 -0.04 2.12 2.19 2bvyA1 VAL 56 HG13 0.43 0.10 -0.16 -0.04 0.97 1.30 2bvyA1 VAL 56 HG23 0.06 -0.01 0.01 -0.04 0.95 0.97 2bvyA1 LYS 57 H -0.18 -0.02 -0.30 -0.55 8.42 7.36 2bvyA1 LYS 57 HA -0.23 0.18 0.06 -0.75 4.32 3.57 2bvyA1 LYS 57 HB2 -1.41 -0.02 -0.13 -0.04 1.87 0.27 2bvyA1 LYS 57 HB3 -0.52 -0.00 0.08 -0.04 1.79 1.31 2bvyA1 LYS 57 HG2 -0.63 0.04 -0.09 -0.04 1.46 0.74 2bvyA1 LYS 57 HG3 -0.26 0.04 -0.39 -0.04 1.46 0.80 2bvyA1 LYS 57 HD2 -0.20 -0.08 -0.51 -0.04 1.69 0.86 2bvyA1 LYS 57 HD3 -0.53 -0.10 -0.21 -0.04 1.68 0.80 2bvyA1 LYS 57 HE2 0.10 0.00 -0.05 -0.04 2.99 3.00 2bvyA1 LYS 57 HE3 -0.03 -0.02 -0.10 -0.04 2.99 2.80 2bvyA1 ASN 58 H -0.12 0.43 -0.20 -0.55 8.53 8.10 2bvyA1 ASN 58 HA -0.07 0.09 0.38 -0.75 4.76 4.40 2bvyA1 ASN 58 HB2 -0.05 -0.06 0.12 -0.04 2.88 2.86 2bvyA1 ASN 58 HB3 -0.04 -0.00 -0.01 -0.04 2.79 2.70 2bvyA1 ASN 58 HD21 -0.02 0.04 -0.18 -0.04 7.03 6.83 2bvyA1 ASN 58 HD22 -0.02 -0.14 -0.29 -0.04 7.74 7.25 2bvyA1 VAL 59 H -0.02 0.42 -0.21 -0.55 8.24 7.88 2bvyA1 VAL 59 HA -0.01 0.20 0.93 -0.75 4.13 4.48 2bvyA1 VAL 59 HB 0.05 -0.07 0.10 -0.04 2.12 2.15 2bvyA1 VAL 59 HG13 -0.01 0.01 0.02 -0.04 0.97 0.95 2bvyA1 VAL 59 HG23 0.10 0.08 -0.06 -0.04 0.95 1.03 2bvyA1 THR 60 H -0.05 0.25 -0.11 -0.55 8.28 7.82 2bvyA1 THR 60 HA -0.13 0.20 1.03 -0.75 4.39 4.74 2bvyA1 THR 60 HB -0.43 0.01 0.06 -0.04 4.32 3.92 2bvyA1 THR 60 HG23 -0.02 -0.03 -0.12 -0.04 1.22 1.01 2bvyA1 GLY 61 H -0.09 0.38 0.07 -0.55 8.43 8.25 2bvyA1 GLY 61 HA2 -0.07 0.02 0.34 -0.51 4.01 3.80 2bvyA1 GLY 61 HA3 -0.08 0.15 0.70 -0.51 4.01 4.27 2bvyA1 ASP 62 H -0.11 0.19 -0.18 -0.55 8.40 7.76 2bvyA1 ASP 62 HA 0.10 0.14 0.75 -0.75 4.63 4.86 2bvyA1 ASP 62 HB2 -0.01 0.09 -0.26 -0.04 2.71 2.49 2bvyA1 ASP 62 HB3 0.02 0.02 -0.12 -0.04 2.70 2.57 2bvyA1 PHE 63 H 0.54 0.18 0.10 -0.55 8.34 8.60 2bvyA1 PHE 63 HA 0.14 -0.06 0.45 -0.75 4.62 4.40 2bvyA1 PHE 63 HB2 0.29 0.07 0.01 -0.04 3.15 3.48 2bvyA1 PHE 63 HB3 0.20 0.06 0.01 -0.04 3.06 3.29 2bvyA1 PHE 63 HD2 0.14 -0.03 -0.05 -0.04 7.28 7.30 2bvyA1 PHE 63 HE2 0.11 -0.01 -0.22 -0.04 7.38 7.21 2bvyA1 PHE 63 HZ 0.08 0.22 0.05 -0.04 7.32 7.63 2bvyA1 PRO 64 HA 0.19 0.11 0.45 -0.51 4.44 4.69 2bvyA1 PRO 64 HB2 -0.18 0.13 0.10 -0.04 2.28 2.29 2bvyA1 PRO 64 HB3 0.17 -0.04 -0.00 -0.04 2.02 2.11 2bvyA1 PRO 64 HG2 -0.75 0.08 -0.12 -0.04 2.03 1.20 2bvyA1 PRO 64 HG3 -0.34 -0.06 0.08 -0.04 2.03 1.67 2bvyA1 PRO 64 HD2 -0.06 0.07 0.12 -0.04 3.68 3.77 2bvyA1 PRO 64 HD3 0.09 -0.01 0.12 -0.04 3.65 3.81 2bvyA1 ALA 65 H -0.07 0.41 0.37 -0.55 8.40 8.56 2bvyA1 ALA 65 HA 0.17 0.13 0.39 -0.75 4.34 4.27 2bvyA1 ALA 65 HB3 0.03 0.01 -0.07 -0.04 1.41 1.35 2bvyA1 VAL 66 H -0.06 0.38 0.10 -0.55 8.24 8.11 2bvyA1 VAL 66 HA 0.09 0.32 1.01 -0.75 4.13 4.79 2bvyA1 VAL 66 HB -0.15 -0.14 -0.12 -0.04 2.12 1.68 2bvyA1 VAL 66 HG13 -0.19 -0.02 -0.37 -0.04 0.97 0.35 2bvyA1 VAL 66 HG23 -0.20 0.01 -0.36 -0.04 0.95 0.37 2bvyA1 PHE 67 H 0.25 0.98 0.25 -0.55 8.34 9.27 2bvyA1 PHE 67 HA -0.36 0.10 0.93 -0.75 4.62 4.54 2bvyA1 PHE 67 HB2 0.05 0.05 0.03 -0.04 3.15 3.24 2bvyA1 PHE 67 HB3 -0.45 -0.07 -0.02 -0.04 3.06 2.48 2bvyA1 PHE 67 HD2 0.09 -0.08 -0.29 -0.04 7.28 6.95 2bvyA1 PHE 67 HE2 0.10 0.18 -0.16 -0.04 7.38 7.47 2bvyA1 PHE 67 HZ -0.03 0.01 -0.10 -0.04 7.32 7.15 2bvyA1 GLY 68 H -0.61 0.44 0.18 -0.55 8.43 7.90 2bvyA1 GLY 68 HA2 -0.32 0.31 0.90 -0.51 4.01 4.39 2bvyA1 GLY 68 HA3 -0.42 -0.04 0.24 -0.51 4.01 3.28 2bvyA1 TRP 69 H -0.01 0.73 0.50 -0.55 7.97 8.64 2bvyA1 TRP 69 HA -0.48 0.08 0.93 -0.75 4.62 4.39 2bvyA1 TRP 69 HB2 0.31 0.04 0.01 -0.04 3.23 3.54 2bvyA1 TRP 69 HB3 -0.22 -0.08 0.15 -0.04 3.23 3.04 2bvyA1 TRP 69 HD1 0.16 0.05 -0.12 -0.04 7.22 7.26 2bvyA1 TRP 69 HE1 0.14 0.07 -0.11 -0.04 10.20 10.26 2bvyA1 TRP 69 HE3 -0.22 -0.03 0.10 -0.04 7.59 7.40 2bvyA1 TRP 69 HZ2 0.28 0.14 -0.12 -0.04 7.44 7.70 2bvyA1 TRP 69 HZ3 0.26 -0.04 -0.04 -0.04 7.13 7.28 2bvyA1 TRP 69 HH2 0.32 -0.00 -0.08 -0.04 7.19 7.38 2bvyA1 ASP 70 H 0.08 0.28 0.20 -0.55 8.40 8.42 2bvyA1 ASP 70 HA 0.23 0.41 0.80 -0.75 4.63 5.32 2bvyA1 ASP 70 HB2 0.10 0.09 -0.35 -0.04 2.71 2.52 2bvyA1 ASP 70 HB3 0.19 -0.04 -0.02 -0.04 2.70 2.80 2bvyA1 THR 71 H 0.26 0.52 0.26 -0.55 8.28 8.77 2bvyA1 THR 71 HA 0.40 0.10 0.39 -0.75 4.39 4.52 2bvyA1 THR 71 HB 0.21 0.04 0.09 -0.04 4.32 4.62 2bvyA1 THR 71 HG23 0.26 0.08 0.01 -0.04 1.22 1.53 2bvyA1 LEU 72 H 0.21 0.01 -0.77 -0.55 8.37 7.28 2bvyA1 LEU 72 HA 0.22 0.12 0.37 -0.75 4.35 4.30 2bvyA1 LEU 72 HB2 0.18 -0.00 -0.08 -0.04 1.64 1.70 2bvyA1 LEU 72 HB3 0.16 0.02 -0.14 -0.04 1.64 1.65 2bvyA1 LEU 72 HG 0.17 -0.13 -0.03 -0.04 1.64 1.61 2bvyA1 LEU 72 HD13 0.02 0.01 -0.07 -0.04 0.93 0.85 2bvyA1 LEU 72 HD23 0.32 0.02 -0.02 -0.04 0.89 1.17 2bvyA1 ILE 73 H 0.11 0.61 -0.18 -0.55 8.25 8.24 2bvyA1 ILE 73 HA 0.01 0.29 0.47 -0.75 4.18 4.19 2bvyA1 ILE 73 HB -0.42 -0.02 0.09 -0.04 1.89 1.49 2bvyA1 ILE 73 HG12 -0.02 0.20 -0.18 -0.04 1.49 1.46 2bvyA1 ILE 73 HG13 -0.00 -0.07 0.11 -0.04 1.21 1.21 2bvyA1 ILE 73 HG23 -0.35 -0.02 -0.20 -0.04 0.93 0.32 2bvyA1 ILE 73 HD13 -0.85 -0.01 0.06 -0.04 0.88 0.03 2bvyA1 ILE 74 H 0.19 0.10 -0.16 -0.55 8.25 7.83 2bvyA1 ILE 74 HA 0.09 0.04 0.29 -0.75 4.18 3.85 2bvyA1 ILE 74 HB 0.02 0.12 0.13 -0.04 1.89 2.12 2bvyA1 ILE 74 HG12 0.16 0.04 -0.03 -0.04 1.49 1.61 2bvyA1 ILE 74 HG13 0.40 -0.11 0.04 -0.04 1.21 1.50 2bvyA1 ILE 74 HG23 -0.06 0.02 -0.08 -0.04 0.93 0.77 2bvyA1 ILE 74 HD13 -0.05 0.01 -0.08 -0.04 0.88 0.72 2bvyA1 GLU 75 H 0.11 0.31 -0.24 -0.55 8.60 8.24 2bvyA1 GLU 75 HA 0.09 0.05 0.31 -0.75 4.29 4.00 2bvyA1 GLU 75 HB2 0.17 -0.03 0.06 -0.04 2.09 2.24 2bvyA1 GLU 75 HB3 0.16 0.03 0.01 -0.04 1.99 2.15 2bvyA1 GLU 75 HG2 0.27 0.04 0.01 -0.04 2.34 2.62 2bvyA1 GLU 75 HG3 0.23 0.06 0.01 -0.04 2.34 2.60 2bvyA1 GLY 76 H 0.06 0.27 -0.92 -0.55 8.43 7.30 2bvyA1 GLY 76 HA2 0.03 -0.09 -0.01 -0.51 4.01 3.43 2bvyA1 GLY 76 HA3 0.04 0.23 0.17 -0.51 4.01 3.94 2bvyA1 ASN 77 H 0.10 0.50 -0.10 -0.55 8.53 8.47 2bvyA1 ASN 77 HA 0.07 0.18 0.70 -0.75 4.76 4.96 2bvyA1 ASN 77 HB2 0.14 -0.05 -0.00 -0.04 2.88 2.93 2bvyA1 ASN 77 HB3 0.12 -0.07 0.00 -0.04 2.79 2.80 2bvyA1 ASN 77 HD21 0.13 0.06 -0.08 -0.04 7.03 7.09 2bvyA1 ASN 77 HD22 0.18 -0.10 -0.06 -0.04 7.74 7.72 2bvyA1 GLU 78 H 0.08 0.26 -0.17 -0.55 8.60 8.23 2bvyA1 GLU 78 HA 0.19 0.16 0.70 -0.75 4.29 4.59 2bvyA1 GLU 78 HB2 0.20 -0.12 -0.18 -0.04 2.09 1.94 2bvyA1 GLU 78 HB3 0.14 0.06 -0.02 -0.04 1.99 2.13 2bvyA1 GLU 78 HG2 0.03 0.21 -0.17 -0.04 2.34 2.38 2bvyA1 GLU 78 HG3 0.13 -0.13 -0.44 -0.04 2.34 1.86 2bvyA1 ARG 79 H 0.08 0.10 0.07 -0.55 8.46 8.16 2bvyA1 ARG 79 HA -0.11 0.23 0.35 -0.75 4.34 4.05 2bvyA1 ARG 79 HB2 -0.70 -0.03 0.12 -0.04 1.90 1.24 2bvyA1 ARG 79 HB3 -0.31 0.06 0.00 -0.04 1.80 1.52 2bvyA1 ARG 79 HG2 -0.17 0.03 0.03 -0.04 1.67 1.53 2bvyA1 ARG 79 HG3 -0.11 0.15 -0.05 -0.04 1.67 1.61 2bvyA1 ARG 79 HD2 -0.10 -0.07 0.03 -0.04 3.22 3.04 2bvyA1 ARG 79 HD3 -0.26 0.02 0.06 -0.04 3.22 2.99 2bvyA1 PRO 80 HA -0.21 0.08 0.29 -0.51 4.44 4.09 2bvyA1 PRO 80 HB2 -0.41 0.03 0.04 -0.04 2.28 1.91 2bvyA1 PRO 80 HB3 -0.82 0.04 0.04 -0.04 2.02 1.25 2bvyA1 PRO 80 HG2 -0.49 0.01 -0.23 -0.04 2.03 1.28 2bvyA1 PRO 80 HG3 -1.33 0.14 -0.13 -0.04 2.03 0.67 2bvyA1 PRO 80 HD2 -0.40 0.05 0.21 -0.04 3.68 3.49 2bvyA1 PRO 80 HD3 -0.54 0.04 0.19 -0.04 3.65 3.31 2bvyA1 GLY 81 H -0.13 0.29 0.14 -0.55 8.43 8.18 2bvyA1 GLY 81 HA2 -0.06 0.00 0.52 -0.51 4.01 3.96 2bvyA1 GLY 81 HA3 -0.04 0.20 0.39 -0.51 4.01 4.05 2bvyA1 LEU 82 H -0.01 0.18 0.18 -0.55 8.37 8.17 2bvyA1 LEU 82 HA -0.00 0.19 0.83 -0.75 4.35 4.62 2bvyA1 LEU 82 HB2 -0.01 -0.09 0.08 -0.04 1.64 1.58 2bvyA1 LEU 82 HB3 -0.00 -0.08 0.05 -0.04 1.64 1.57 2bvyA1 LEU 82 HG -0.04 0.19 -0.26 -0.04 1.64 1.49 2bvyA1 LEU 82 HD13 -0.02 -0.01 -0.02 -0.04 0.93 0.84 2bvyA1 LEU 82 HD23 -0.03 0.05 -0.09 -0.04 0.89 0.78 2bvyA1 ALA 83 H 0.02 0.13 0.15 -0.55 8.40 8.15 2bvyA1 ALA 83 HA 0.03 0.19 0.43 -0.75 4.34 4.24 2bvyA1 ALA 83 HB3 0.03 -0.00 0.11 -0.04 1.41 1.50 2bvyA1 GLU 84 H 0.01 -0.02 -0.15 -0.55 8.60 7.89 2bvyA1 GLU 84 HA 0.02 0.10 0.41 -0.75 4.29 4.06 2bvyA1 GLU 84 HB2 0.01 -0.03 -0.01 -0.04 2.09 2.01 2bvyA1 GLU 84 HB3 0.01 0.01 0.03 -0.04 1.99 2.00 2bvyA1 GLU 84 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 2bvyA1 GLU 84 HG3 0.01 0.03 0.01 -0.04 2.34 2.36 2bvyA1 ASN 85 H 0.01 0.04 -0.36 -0.55 8.53 7.67 2bvyA1 ASN 85 HA 0.01 -0.00 0.38 -0.75 4.76 4.39 2bvyA1 ASN 85 HB2 0.00 0.17 0.09 -0.04 2.88 3.09 2bvyA1 ASN 85 HB3 -0.00 -0.05 0.10 -0.04 2.79 2.79 2bvyA1 ASN 85 HD21 -0.02 0.05 -0.03 -0.04 7.03 6.99 2bvyA1 ASN 85 HD22 -0.02 -0.01 -0.12 -0.04 7.74 7.55 2bvyA1 THR 86 H 0.00 -0.00 0.22 -0.55 8.28 7.95 2bvyA1 THR 86 HA 0.02 0.27 0.71 -0.75 4.39 4.63 2bvyA1 THR 86 HB 0.01 0.00 0.18 -0.04 4.32 4.47 2bvyA1 THR 86 HG23 0.01 0.05 0.07 -0.04 1.22 1.31 2bvyA1 ARG 87 H 0.02 0.22 0.16 -0.55 8.46 8.31 2bvyA1 ARG 87 HA 0.02 0.31 0.43 -0.75 4.34 4.33 2bvyA1 ARG 87 HB2 0.01 -0.03 0.09 -0.04 1.90 1.93 2bvyA1 ARG 87 HB3 -0.01 -0.02 0.06 -0.04 1.80 1.79 2bvyA1 ARG 87 HG2 0.03 0.17 0.02 -0.04 1.67 1.85 2bvyA1 ARG 87 HG3 0.04 -0.02 0.09 -0.04 1.67 1.73 2bvyA1 ARG 87 HD2 0.04 -0.02 -0.03 -0.04 3.22 3.17 2bvyA1 ARG 87 HD3 -0.00 -0.07 -0.16 -0.04 3.22 2.96 2bvyA1 ASP 88 H 0.00 0.06 -0.28 -0.55 8.40 7.63 2bvyA1 ASP 88 HA -0.02 0.13 0.45 -0.75 4.63 4.44 2bvyA1 ASP 88 HB2 -0.01 -0.05 0.08 -0.04 2.71 2.69 2bvyA1 ASP 88 HB3 -0.01 0.08 -0.02 -0.04 2.70 2.70 2bvyA1 GLU 89 H -0.00 0.13 -0.14 -0.55 8.60 8.05 2bvyA1 GLU 89 HA -0.01 0.13 0.55 -0.75 4.29 4.20 2bvyA1 GLU 89 HB2 -0.01 0.05 0.01 -0.04 2.09 2.10 2bvyA1 GLU 89 HB3 -0.01 0.05 0.11 -0.04 1.99 2.10 2bvyA1 GLU 89 HG2 -0.00 -0.09 0.21 -0.04 2.34 2.41 2bvyA1 GLU 89 HG3 -0.00 0.14 0.22 -0.04 2.34 2.66 2bvyA1 ASN 90 H 0.00 0.46 -0.18 -0.55 8.53 8.26 2bvyA1 ASN 90 HA -0.03 0.05 0.43 -0.75 4.76 4.46 2bvyA1 ASN 90 HB2 0.02 0.13 0.20 -0.04 2.88 3.19 2bvyA1 ASN 90 HB3 0.02 0.00 -0.03 -0.04 2.79 2.74 2bvyA1 ASN 90 HD21 0.02 0.24 -0.15 -0.04 7.03 7.10 2bvyA1 ASN 90 HD22 0.03 0.39 -0.13 -0.04 7.74 7.98 2bvyA1 ILE 91 H 0.01 0.56 -0.19 -0.55 8.25 8.08 2bvyA1 ILE 91 HA 0.06 -0.06 0.36 -0.75 4.18 3.79 2bvyA1 ILE 91 HB -0.03 0.16 0.19 -0.04 1.89 2.16 2bvyA1 ILE 91 HG12 -0.03 -0.11 0.04 -0.04 1.49 1.35 2bvyA1 ILE 91 HG13 -0.00 0.38 0.18 -0.04 1.21 1.72 2bvyA1 ILE 91 HG23 -0.09 -0.02 -0.17 -0.04 0.93 0.62 2bvyA1 ILE 91 HD13 -0.05 -0.04 -0.02 -0.04 0.88 0.73 2bvyA1 ALA 92 H -0.01 0.36 -0.33 -0.55 8.40 7.87 2bvyA1 ALA 92 HA -0.03 0.06 0.37 -0.75 4.34 3.99 2bvyA1 ALA 92 HB3 -0.02 0.05 0.11 -0.04 1.41 1.51 2bvyA1 LEU 93 H -0.03 0.42 -0.25 -0.55 8.37 7.97 2bvyA1 LEU 93 HA -0.03 0.05 0.47 -0.75 4.35 4.08 2bvyA1 LEU 93 HB2 -0.11 0.09 0.07 -0.04 1.64 1.64 2bvyA1 LEU 93 HB3 -0.22 -0.07 -0.02 -0.04 1.64 1.28 2bvyA1 LEU 93 HG -0.04 0.16 0.07 -0.04 1.64 1.79 2bvyA1 LEU 93 HD13 -0.06 -0.00 0.00 -0.04 0.93 0.82 2bvyA1 LEU 93 HD23 -0.02 -0.02 0.01 -0.04 0.89 0.82 2bvyA1 PHE 94 H 0.04 0.63 -0.19 -0.55 8.34 8.26 2bvyA1 PHE 94 HA -0.38 -0.06 0.36 -0.75 4.62 3.78 2bvyA1 PHE 94 HB2 -0.15 0.09 0.05 -0.04 3.15 3.10 2bvyA1 PHE 94 HB3 -0.15 0.17 0.14 -0.04 3.06 3.19 2bvyA1 PHE 94 HD2 -0.29 -0.02 -0.10 -0.04 7.28 6.83 2bvyA1 PHE 94 HE2 -0.23 -0.05 -0.17 -0.04 7.38 6.88 2bvyA1 PHE 94 HZ 0.14 -0.10 -0.19 -0.04 7.32 7.12 2bvyA1 ALA 95 H -0.01 0.70 -0.05 -0.55 8.40 8.50 2bvyA1 ALA 95 HA -0.12 -0.02 0.33 -0.75 4.34 3.77 2bvyA1 ALA 95 HB3 -0.08 0.08 -0.03 -0.04 1.41 1.33 2bvyA1 ASP 96 H -0.00 0.39 -0.42 -0.55 8.40 7.82 2bvyA1 ASP 96 HA -0.00 0.03 0.42 -0.75 4.63 4.33 2bvyA1 ASP 96 HB2 0.03 0.07 0.16 -0.04 2.71 2.93 2bvyA1 ASP 96 HB3 0.13 0.17 0.18 -0.04 2.70 3.14 2bvyA1 TYR 97 H 0.11 0.48 -0.16 -0.55 8.29 8.16 2bvyA1 TYR 97 HA -0.08 0.09 0.53 -0.75 4.56 4.34 2bvyA1 TYR 97 HB2 -0.61 0.15 0.16 -0.04 3.06 2.71 2bvyA1 TYR 97 HB3 -0.79 -0.12 -0.01 -0.04 2.98 2.02 2bvyA1 TYR 97 HD2 0.04 -0.07 -0.10 -0.04 7.15 6.98 2bvyA1 TYR 97 HE2 0.03 -0.00 -0.13 -0.04 6.85 6.71 2bvyA1 ILE 98 H -0.15 0.45 -0.19 -0.55 8.25 7.81 2bvyA1 ILE 98 HA 0.03 -0.01 0.46 -0.75 4.18 3.90 2bvyA1 ILE 98 HB -0.12 0.14 0.14 -0.04 1.89 2.01 2bvyA1 ILE 98 HG12 -0.14 -0.07 -0.06 -0.04 1.49 1.18 2bvyA1 ILE 98 HG13 -0.42 0.06 -0.04 -0.04 1.21 0.77 2bvyA1 ILE 98 HG23 -0.03 0.01 -0.17 -0.04 0.93 0.70 2bvyA1 ILE 98 HD13 -0.22 -0.01 -0.15 -0.04 0.88 0.46 2bvyA1 ARG 99 H -0.06 0.70 -0.05 -0.55 8.46 8.50 2bvyA1 ARG 99 HA -0.07 0.01 0.33 -0.75 4.34 3.85 2bvyA1 ARG 99 HB2 -0.04 0.12 0.21 -0.04 1.90 2.14 2bvyA1 ARG 99 HB3 -0.05 -0.08 0.01 -0.04 1.80 1.63 2bvyA1 ARG 99 HG2 -0.06 0.16 0.01 -0.04 1.67 1.73 2bvyA1 ARG 99 HG3 -0.07 -0.01 0.07 -0.04 1.67 1.62 2bvyA1 ARG 99 HD2 -0.05 0.09 0.06 -0.04 3.22 3.27 2bvyA1 ARG 99 HD3 -0.04 -0.05 -0.25 -0.04 3.22 2.84 2bvyA1 LYS 100 H -0.05 0.53 -0.20 -0.55 8.42 8.14 2bvyA1 LYS 100 HA -0.08 -0.00 0.45 -0.75 4.32 3.94 2bvyA1 LYS 100 HB2 -0.11 0.04 0.22 -0.04 1.87 1.98 2bvyA1 LYS 100 HB3 -0.10 0.06 0.07 -0.04 1.79 1.78 2bvyA1 LYS 100 HG2 -0.07 -0.09 0.04 -0.04 1.46 1.30 2bvyA1 LYS 100 HG3 -0.06 0.15 0.12 -0.04 1.46 1.63 2bvyA1 LYS 100 HD2 -0.28 -0.06 -0.02 -0.04 1.69 1.28 2bvyA1 LYS 100 HD3 -0.18 -0.02 -0.06 -0.04 1.68 1.37 2bvyA1 LYS 100 HE2 -0.05 -0.07 -0.00 -0.04 2.99 2.82 2bvyA1 LYS 100 HE3 -0.03 -0.03 -0.01 -0.04 2.99 2.88 2bvyA1 ALA 101 H -0.05 0.47 -0.27 -0.55 8.40 8.01 2bvyA1 ALA 101 HA -0.54 -0.01 0.42 -0.75 4.34 3.46 2bvyA1 ALA 101 HB3 -0.35 0.01 0.06 -0.04 1.41 1.09 2bvyA1 ASP 102 H -0.12 0.74 -0.08 -0.55 8.40 8.39 2bvyA1 ASP 102 HA -0.08 0.13 0.43 -0.75 4.63 4.36 2bvyA1 ASP 102 HB2 -0.08 -0.01 0.07 -0.04 2.71 2.66 2bvyA1 ASP 102 HB3 -0.08 0.12 0.16 -0.04 2.70 2.85 2bvyA1 ALA 103 H -0.11 0.48 -0.28 -0.55 8.40 7.94 2bvyA1 ALA 103 HA -0.06 -0.02 0.44 -0.75 4.34 3.95 2bvyA1 ALA 103 HB3 -0.07 0.01 0.13 -0.04 1.41 1.43 2bvyA1 ILE 104 H -0.19 0.54 -0.09 -0.55 8.25 7.95 2bvyA1 ILE 104 HA -0.17 -0.03 0.41 -0.75 4.18 3.63 2bvyA1 ILE 104 HB -0.36 0.08 0.16 -0.04 1.89 1.73 2bvyA1 ILE 104 HG12 -0.40 -0.07 0.07 -0.04 1.49 1.05 2bvyA1 ILE 104 HG13 -0.23 0.25 0.15 -0.04 1.21 1.33 2bvyA1 ILE 104 HG23 -0.63 -0.04 -0.07 -0.04 0.93 0.14 2bvyA1 ILE 104 HD13 -0.53 -0.05 -0.03 -0.04 0.88 0.22 2bvyA1 GLY 105 H -0.14 0.27 -0.43 -0.55 8.43 7.58 2bvyA1 GLY 105 HA2 -0.02 0.04 0.27 -0.51 4.01 3.79 2bvyA1 GLY 105 HA3 -0.01 0.15 0.87 -0.51 4.01 4.51 2bvyA1 GLY 106 H -0.24 0.37 0.09 -0.55 8.43 8.11 2bvyA1 GLY 106 HA2 0.09 0.28 0.91 -0.51 4.01 4.78 2bvyA1 GLY 106 HA3 -0.01 -0.08 0.17 -0.51 4.01 3.57 2bvyA1 VAL 107 H 0.12 0.78 0.38 -0.55 8.24 8.97 2bvyA1 VAL 107 HA 0.15 0.17 0.85 -0.75 4.13 4.54 2bvyA1 VAL 107 HB -0.01 -0.05 0.04 -0.04 2.12 2.07 2bvyA1 VAL 107 HG13 0.05 0.00 -0.18 -0.04 0.97 0.80 2bvyA1 VAL 107 HG23 -0.02 0.03 -0.11 -0.04 0.95 0.81 2bvyA1 ASN 108 H 0.12 0.28 0.15 -0.55 8.53 8.54 2bvyA1 ASN 108 HA 0.19 0.26 0.93 -0.75 4.76 5.38 2bvyA1 ASN 108 HB2 0.14 0.18 0.14 -0.04 2.88 3.30 2bvyA1 ASN 108 HB3 0.37 -0.06 -0.03 -0.04 2.79 3.02 2bvyA1 ASN 108 HD21 0.00 0.04 -0.07 -0.04 7.03 6.96 2bvyA1 ASN 108 HD22 0.06 0.09 0.01 -0.04 7.74 7.86 2bvyA1 THR 109 H 0.10 0.58 0.38 -0.55 8.28 8.79 2bvyA1 THR 109 HA 0.04 0.18 0.91 -0.75 4.39 4.77 2bvyA1 THR 109 HB -0.08 0.04 -0.21 -0.04 4.32 4.03 2bvyA1 THR 109 HG23 -0.06 -0.02 -0.17 -0.04 1.22 0.93 2bvyA1 VAL 110 H 0.06 0.79 0.29 -0.55 8.24 8.83 2bvyA1 VAL 110 HA 0.23 0.11 1.07 -0.75 4.13 4.78 2bvyA1 VAL 110 HB 0.17 0.02 0.02 -0.04 2.12 2.30 2bvyA1 VAL 110 HG13 0.31 -0.02 -0.25 -0.04 0.97 0.97 2bvyA1 VAL 110 HG23 0.27 -0.00 -0.30 -0.04 0.95 0.87 2bvyA1 SER 111 H 0.11 0.59 0.33 -0.55 8.46 8.94 2bvyA1 SER 111 HA -0.20 0.35 0.78 -0.75 4.49 4.67 2bvyA1 SER 111 HB2 -0.26 -0.09 0.11 -0.04 3.95 3.68 2bvyA1 SER 111 HB3 -0.02 0.07 0.04 -0.04 3.93 3.98 2bvyA1 ALA 112 H -0.35 0.27 0.07 -0.55 8.40 7.85 2bvyA1 ALA 112 HA 0.05 -0.11 0.80 -0.75 4.34 4.33 2bvyA1 ALA 112 HB3 -0.28 0.05 -0.03 -0.04 1.41 1.11 2bvyA1 HIS 113 H 0.19 0.08 -0.06 -0.55 8.41 8.07 2bvyA1 HIS 113 HA 0.00 0.17 0.61 -0.75 4.63 4.66 2bvyA1 HIS 113 HB2 -0.28 -0.06 0.12 -0.04 3.26 3.00 2bvyA1 HIS 113 HB3 -1.31 0.01 0.08 -0.04 3.20 1.94 2bvyA1 HIS 113 HD2 -1.28 0.02 -0.08 -0.04 6.97 5.59 2bvyA1 HIS 113 HE1 0.15 0.04 -0.11 -0.04 7.75 7.78 2bvyA1 VAL 114 H -0.29 0.39 -0.17 -0.55 8.24 7.62 2bvyA1 VAL 114 HA 0.06 -0.04 0.23 -0.75 4.13 3.62 2bvyA1 VAL 114 HB 0.24 0.00 0.01 -0.04 2.12 2.33 2bvyA1 VAL 114 HG13 -0.30 0.09 -0.09 -0.04 0.97 0.63 2bvyA1 VAL 114 HG23 -0.62 0.04 -0.02 -0.04 0.95 0.31 2bvyA1 GLU 115 H 0.08 0.07 0.08 -0.55 8.60 8.28 2bvyA1 GLU 115 HA 0.24 -0.05 0.30 -0.75 4.29 4.04 2bvyA1 GLU 115 HB2 0.01 0.18 -0.10 -0.04 2.09 2.15 2bvyA1 GLU 115 HB3 0.14 -0.02 0.05 -0.04 1.99 2.12 2bvyA1 GLU 115 HG2 -0.12 -0.12 0.03 -0.04 2.34 2.08 2bvyA1 GLU 115 HG3 -0.60 -0.03 -0.31 -0.04 2.34 1.36 2bvyA1 ASN 116 H 0.06 0.59 -0.02 -0.55 8.53 8.61 2bvyA1 ASN 116 HA -0.83 0.07 0.49 -0.75 4.76 3.74 2bvyA1 ASN 116 HB2 -0.05 0.33 0.01 -0.04 2.88 3.13 2bvyA1 ASN 116 HB3 -0.11 -0.20 0.10 -0.04 2.79 2.53 2bvyA1 ASN 116 HD21 -0.25 0.34 0.01 -0.04 7.03 7.10 2bvyA1 ASN 116 HD22 -0.10 0.54 0.06 -0.04 7.74 8.20 2bvyA1 PHE 117 H -0.59 0.27 0.10 -0.55 8.34 7.56 2bvyA1 PHE 117 HA 0.01 0.09 0.25 -0.75 4.62 4.21 2bvyA1 PHE 117 HB2 -0.19 -0.03 0.02 -0.04 3.15 2.91 2bvyA1 PHE 117 HB3 0.07 0.03 -0.02 -0.04 3.06 3.10 2bvyA1 PHE 117 HD2 -0.02 -0.00 -0.04 -0.04 7.28 7.18 2bvyA1 PHE 117 HE2 0.35 -0.01 -0.06 -0.04 7.38 7.62 2bvyA1 PHE 117 HZ -0.27 -0.05 -0.04 -0.04 7.32 6.91 2bvyA1 VAL 118 H -0.29 0.00 -0.25 -0.55 8.24 7.15 2bvyA1 VAL 118 HA -0.23 0.18 0.52 -0.75 4.13 3.85 2bvyA1 VAL 118 HB -0.30 -0.10 0.05 -0.04 2.12 1.73 2bvyA1 VAL 118 HG13 -0.16 0.04 -0.13 -0.04 0.97 0.68 2bvyA1 VAL 118 HG23 -0.81 0.04 -0.06 -0.04 0.95 0.07 2bvyA1 THR 119 H -0.15 0.02 -0.12 -0.55 8.28 7.48 2bvyA1 THR 119 HA -0.03 0.25 0.69 -0.75 4.39 4.54 2bvyA1 THR 119 HB -0.04 0.04 0.06 -0.04 4.32 4.34 2bvyA1 THR 119 HG23 -0.09 -0.01 -0.18 -0.04 1.22 0.90 2bvyA1 GLY 120 H -0.04 0.46 -0.16 -0.55 8.43 8.15 2bvyA1 GLY 120 HA2 0.02 0.04 0.26 -0.51 4.01 3.83 2bvyA1 GLY 120 HA3 0.02 0.10 0.52 -0.51 4.01 4.14 2bvyA1 GLY 121 H -0.04 -0.13 -0.41 -0.55 8.43 7.31 2bvyA1 GLY 121 HA2 0.01 0.16 0.51 -0.51 4.01 4.18 2bvyA1 GLY 121 HA3 -0.01 -0.04 0.29 -0.51 4.01 3.75 2bvyA1 SER 122 H -0.01 0.08 0.14 -0.55 8.46 8.12 2bvyA1 SER 122 HA 0.07 0.22 0.56 -0.75 4.49 4.59 2bvyA1 SER 122 HB2 -0.47 -0.05 0.18 -0.04 3.95 3.58 2bvyA1 SER 122 HB3 -0.10 0.13 0.11 -0.04 3.93 4.03 2bvyA1 PHE 123 H -0.16 0.17 0.06 -0.55 8.34 7.86 2bvyA1 PHE 123 HA 0.46 0.27 0.37 -0.75 4.62 4.96 2bvyA1 PHE 123 HB2 -0.17 -0.04 -0.03 -0.04 3.15 2.88 2bvyA1 PHE 123 HB3 0.24 0.14 -0.30 -0.04 3.06 3.10 2bvyA1 PHE 123 HD2 -0.02 0.11 -0.14 -0.04 7.28 7.18 2bvyA1 PHE 123 HE2 -0.65 0.03 -0.05 -0.04 7.38 6.67 2bvyA1 PHE 123 HZ -0.12 0.03 -0.04 -0.04 7.32 7.14 2bvyA1 TYR 124 H -0.49 -0.05 -0.32 -0.55 8.29 6.88 2bvyA1 TYR 124 HA 0.19 0.38 0.60 -0.75 4.56 4.97 2bvyA1 TYR 124 HB2 -0.23 -0.09 0.00 -0.04 3.06 2.70 2bvyA1 TYR 124 HB3 -0.03 0.03 0.01 -0.04 2.98 2.96 2bvyA1 TYR 124 HD2 0.03 0.18 0.01 -0.04 7.15 7.33 2bvyA1 TYR 124 HE2 0.16 -0.01 -0.07 -0.04 6.85 6.89 2bvyA1 ASP 125 H 0.12 0.22 -0.43 -0.55 8.40 7.76 2bvyA1 ASP 125 HA 0.05 0.04 0.54 -0.75 4.63 4.50 2bvyA1 ASP 125 HB2 0.02 -0.13 0.10 -0.04 2.71 2.66 2bvyA1 ASP 125 HB3 0.04 0.16 0.11 -0.04 2.70 2.97 2bvyA1 THR 126 H 0.00 0.17 0.17 -0.55 8.28 8.08 2bvyA1 THR 126 HA -0.08 0.16 0.70 -0.75 4.39 4.41 2bvyA1 THR 126 HB -0.85 -0.01 0.03 -0.04 4.32 3.46 2bvyA1 THR 126 HG23 0.04 0.10 -0.41 -0.04 1.22 0.90 2bvyA1 SER 127 H -0.06 -0.02 -0.16 -0.55 8.46 7.67 2bvyA1 SER 127 HA -0.07 0.16 0.57 -0.75 4.49 4.39 2bvyA1 SER 127 HB2 -0.03 0.00 0.13 -0.04 3.95 4.00 2bvyA1 SER 127 HB3 -0.03 0.02 0.08 -0.04 3.93 3.96 2bvyA1 GLY 128 H -0.05 0.19 0.10 -0.55 8.43 8.13 2bvyA1 GLY 128 HA2 -0.09 0.09 0.30 -0.51 4.01 3.80 2bvyA1 GLY 128 HA3 -0.15 0.09 0.57 -0.51 4.01 4.01 2bvyA1 ASP 129 H -0.07 0.23 -0.27 -0.55 8.40 7.75 2bvyA1 ASP 129 HA 0.04 0.12 0.34 -0.75 4.63 4.38 2bvyA1 ASP 129 HB2 0.01 -0.02 -0.10 -0.04 2.71 2.56 2bvyA1 ASP 129 HB3 -0.02 0.19 0.02 -0.04 2.70 2.85 2bvyA1 THR 130 H -0.14 0.18 -0.32 -0.55 8.28 7.45 2bvyA1 THR 130 HA -0.26 0.07 0.27 -0.75 4.39 3.72 2bvyA1 THR 130 HB -0.70 0.11 -0.01 -0.04 4.32 3.68 2bvyA1 THR 130 HG23 -1.29 -0.01 -0.05 -0.04 1.22 -0.17 2bvyA1 LEU 131 H 0.26 0.21 -0.18 -0.55 8.37 8.11 2bvyA1 LEU 131 HA 0.53 0.05 0.39 -0.75 4.35 4.56 2bvyA1 LEU 131 HB2 0.52 0.20 0.14 -0.04 1.64 2.45 2bvyA1 LEU 131 HB3 0.26 0.16 0.05 -0.04 1.64 2.07 2bvyA1 LEU 131 HG 0.24 -0.07 -0.00 -0.04 1.64 1.76 2bvyA1 LEU 131 HD13 0.29 0.00 -0.23 -0.04 0.93 0.95 2bvyA1 LEU 131 HD23 0.08 -0.01 -0.23 -0.04 0.89 0.68 2bvyA1 ARG 132 H 0.10 0.20 -0.09 -0.55 8.46 8.11 2bvyA1 ARG 132 HA 0.03 0.10 0.53 -0.75 4.34 4.25 2bvyA1 ARG 132 HB2 0.03 0.08 0.13 -0.04 1.90 2.10 2bvyA1 ARG 132 HB3 0.02 0.01 0.09 -0.04 1.80 1.88 2bvyA1 ARG 132 HG2 0.06 -0.03 0.06 -0.04 1.67 1.72 2bvyA1 ARG 132 HG3 0.09 0.11 0.14 -0.04 1.67 1.96 2bvyA1 ARG 132 HD2 0.04 -0.00 0.05 -0.04 3.22 3.27 2bvyA1 ARG 132 HD3 0.02 -0.01 0.06 -0.04 3.22 3.26 2bvyA1 ALA 133 H -0.00 0.36 -0.17 -0.55 8.40 8.03 2bvyA1 ALA 133 HA 0.02 -0.03 0.46 -0.75 4.34 4.04 2bvyA1 ALA 133 HB3 -0.08 0.00 0.05 -0.04 1.41 1.34 2bvyA1 VAL 134 H 0.04 0.32 -0.56 -0.55 8.24 7.49 2bvyA1 VAL 134 HA 0.05 -0.00 0.37 -0.75 4.13 3.79 2bvyA1 VAL 134 HB 0.14 0.30 0.13 -0.04 2.12 2.65 2bvyA1 VAL 134 HG13 0.15 -0.01 -0.12 -0.04 0.97 0.95 2bvyA1 VAL 134 HG23 0.09 -0.06 -0.06 -0.04 0.95 0.87 2bvyA1 LEU 135 H 0.00 0.19 -0.29 -0.55 8.37 7.73 2bvyA1 LEU 135 HA -0.09 0.05 0.41 -0.75 4.35 3.97 2bvyA1 LEU 135 HB2 -0.07 0.09 0.10 -0.04 1.64 1.71 2bvyA1 LEU 135 HB3 -0.13 0.10 0.08 -0.04 1.64 1.66 2bvyA1 LEU 135 HG -0.01 0.22 0.10 -0.04 1.64 1.90 2bvyA1 LEU 135 HD13 -0.02 -0.04 0.06 -0.04 0.93 0.89 2bvyA1 LEU 135 HD23 -0.07 0.04 0.04 -0.04 0.89 0.85 2bvyA1 PRO 136 HA -1.47 -0.04 0.42 -0.51 4.44 2.84 2bvyA1 PRO 136 HB2 -0.61 0.06 -0.02 -0.04 2.28 1.67 2bvyA1 PRO 136 HB3 -0.99 -0.02 0.01 -0.04 2.02 0.97 2bvyA1 PRO 136 HG2 -0.05 0.03 0.04 -0.04 2.03 2.01 2bvyA1 PRO 136 HG3 -0.52 0.02 0.05 -0.04 2.03 1.54 2bvyA1 PRO 136 HD2 -0.20 0.18 0.17 -0.04 3.68 3.79 2bvyA1 PRO 136 HD3 -0.23 0.12 0.16 -0.04 3.65 3.67 2bvyA1 GLY 137 H -0.50 0.08 0.16 -0.55 8.43 7.62 2bvyA1 GLY 137 HA2 -0.16 -0.04 0.31 -0.51 4.01 3.62 2bvyA1 GLY 137 HA3 -0.20 0.14 0.58 -0.51 4.01 4.02 2bvyA1 GLY 138 H -0.17 0.59 -0.23 -0.55 8.43 8.07 2bvyA1 GLY 138 HA2 -0.03 0.05 0.54 -0.51 4.01 4.07 2bvyA1 GLY 138 HA3 -0.01 0.18 0.21 -0.51 4.01 3.88 2bvyA1 SER 139 H 0.05 0.12 0.22 -0.55 8.46 8.30 2bvyA1 SER 139 HA 0.00 0.08 0.38 -0.75 4.49 4.20 2bvyA1 SER 139 HB2 0.04 0.00 0.09 -0.04 3.95 4.04 2bvyA1 SER 139 HB3 0.06 0.04 0.17 -0.04 3.93 4.16 2bvyA1 HIS 140 H 0.21 0.43 -0.14 -0.55 8.41 8.36 2bvyA1 HIS 140 HA -0.04 0.19 0.90 -0.75 4.63 4.92 2bvyA1 HIS 140 HB2 -0.04 0.02 -0.18 -0.04 3.26 3.02 2bvyA1 HIS 140 HB3 -0.08 -0.10 0.06 -0.04 3.20 3.04 2bvyA1 HIS 140 HD2 0.04 0.08 -0.21 -0.04 6.97 6.84 2bvyA1 HIS 140 HE1 -0.01 0.02 -0.05 -0.04 7.75 7.66 2bvyA1 HIS 141 H 0.10 0.61 -0.29 -0.55 8.41 8.29 2bvyA1 HIS 141 HA -0.10 0.15 0.40 -0.75 4.63 4.33 2bvyA1 HIS 141 HB2 -0.09 0.20 0.04 -0.04 3.26 3.37 2bvyA1 HIS 141 HB3 -0.06 -0.00 0.06 -0.04 3.20 3.16 2bvyA1 HIS 141 HD2 0.01 0.01 -0.10 -0.04 6.97 6.84 2bvyA1 HIS 141 HE1 -1.67 0.02 -0.06 -0.04 7.75 6.00 2bvyA1 ALA 142 H -0.03 0.24 -0.24 -0.55 8.40 7.83 2bvyA1 ALA 142 HA -0.16 0.05 0.35 -0.75 4.34 3.82 2bvyA1 ALA 142 HB3 -0.04 0.03 0.02 -0.04 1.41 1.38 2bvyA1 GLU 143 H -0.16 0.34 -0.48 -0.55 8.60 7.74 2bvyA1 GLU 143 HA -0.12 0.04 0.43 -0.75 4.29 3.89 2bvyA1 GLU 143 HB2 -0.60 0.14 0.08 -0.04 2.09 1.67 2bvyA1 GLU 143 HB3 -0.30 -0.05 0.03 -0.04 1.99 1.62 2bvyA1 GLU 143 HG2 -0.09 -0.10 0.03 -0.04 2.34 2.13 2bvyA1 GLU 143 HG3 0.09 -0.01 0.04 -0.04 2.34 2.42 2bvyA1 LEU 144 H -0.39 0.42 -0.07 -0.55 8.37 7.79 2bvyA1 LEU 144 HA -0.27 -0.02 0.47 -0.75 4.35 3.77 2bvyA1 LEU 144 HB2 -0.08 -0.03 0.12 -0.04 1.64 1.60 2bvyA1 LEU 144 HB3 -0.16 0.24 0.20 -0.04 1.64 1.87 2bvyA1 LEU 144 HG 0.26 -0.03 -0.27 -0.04 1.64 1.57 2bvyA1 LEU 144 HD13 0.57 -0.04 0.02 -0.04 0.93 1.44 2bvyA1 LEU 144 HD23 0.27 0.03 -0.03 -0.04 0.89 1.11 2bvyA1 VAL 145 H -0.29 0.53 -0.11 -0.55 8.24 7.82 2bvyA1 VAL 145 HA -0.31 0.04 0.34 -0.75 4.13 3.44 2bvyA1 VAL 145 HB -0.18 0.10 0.10 -0.04 2.12 2.10 2bvyA1 VAL 145 HG13 -0.19 -0.01 -0.14 -0.04 0.97 0.59 2bvyA1 VAL 145 HG23 -0.43 0.05 -0.02 -0.04 0.95 0.51 2bvyA1 ALA 146 H -0.06 0.47 -0.26 -0.55 8.40 8.01 2bvyA1 ALA 146 HA 0.05 0.04 0.44 -0.75 4.34 4.11 2bvyA1 ALA 146 HB3 0.04 0.04 0.10 -0.04 1.41 1.54 2bvyA1 TYR 147 H 0.20 0.46 -0.24 -0.55 8.29 8.15 2bvyA1 TYR 147 HA 0.16 -0.01 0.46 -0.75 4.56 4.42 2bvyA1 TYR 147 HB2 0.35 0.14 0.16 -0.04 3.06 3.66 2bvyA1 TYR 147 HB3 0.29 0.14 0.15 -0.04 2.98 3.52 2bvyA1 TYR 147 HD2 0.34 0.07 -0.13 -0.04 7.15 7.39 2bvyA1 TYR 147 HE2 0.14 -0.04 -0.05 -0.04 6.85 6.87 2bvyA1 LEU 148 H 0.22 0.65 -0.13 -0.55 8.37 8.56 2bvyA1 LEU 148 HA 0.22 -0.03 0.45 -0.75 4.35 4.24 2bvyA1 LEU 148 HB2 0.07 0.16 0.09 -0.04 1.64 1.92 2bvyA1 LEU 148 HB3 0.27 -0.03 0.02 -0.04 1.64 1.85 2bvyA1 LEU 148 HG 0.26 0.25 -0.00 -0.04 1.64 2.10 2bvyA1 LEU 148 HD13 0.11 0.00 -0.06 -0.04 0.93 0.94 2bvyA1 LEU 148 HD23 0.36 -0.03 -0.03 -0.04 0.89 1.15 2bvyA1 ASP 149 H 0.12 0.38 -0.37 -0.55 8.40 7.99 2bvyA1 ASP 149 HA 0.10 0.07 0.44 -0.75 4.63 4.49 2bvyA1 ASP 149 HB2 0.07 0.16 0.20 -0.04 2.71 3.10 2bvyA1 ASP 149 HB3 0.04 -0.05 -0.01 -0.04 2.70 2.64 2bvyA1 ASP 150 H 0.01 0.44 -0.16 -0.55 8.40 8.13 2bvyA1 ASP 150 HA -0.05 0.03 0.43 -0.75 4.63 4.29 2bvyA1 ASP 150 HB2 -0.15 0.18 0.16 -0.04 2.71 2.87 2bvyA1 ASP 150 HB3 -0.10 -0.07 -0.01 -0.04 2.70 2.47 2bvyA1 ILE 151 H -0.03 0.37 -0.31 -0.55 8.25 7.73 2bvyA1 ILE 151 HA -0.11 -0.03 0.44 -0.75 4.18 3.72 2bvyA1 ILE 151 HB -0.00 0.20 0.13 -0.04 1.89 2.18 2bvyA1 ILE 151 HG12 0.00 -0.11 0.00 -0.04 1.49 1.34 2bvyA1 ILE 151 HG13 -0.02 0.21 0.07 -0.04 1.21 1.44 2bvyA1 ILE 151 HG23 -0.25 -0.01 -0.12 -0.04 0.93 0.51 2bvyA1 ILE 151 HD13 0.28 -0.02 -0.06 -0.04 0.88 1.03 2bvyA1 ALA 152 H -0.05 0.49 -0.21 -0.55 8.40 8.08 2bvyA1 ALA 152 HA -0.25 0.00 0.44 -0.75 4.34 3.78 2bvyA1 ALA 152 HB3 -0.10 0.06 0.14 -0.04 1.41 1.47 2bvyA1 GLU 153 H -0.09 0.48 -0.21 -0.55 8.60 8.24 2bvyA1 GLU 153 HA -0.10 0.05 0.40 -0.75 4.29 3.88 2bvyA1 GLU 153 HB2 -0.08 0.18 0.23 -0.04 2.09 2.38 2bvyA1 GLU 153 HB3 -0.08 -0.07 -0.02 -0.04 1.99 1.79 2bvyA1 GLU 153 HG2 -0.05 0.17 0.02 -0.04 2.34 2.44 2bvyA1 GLU 153 HG3 -0.04 -0.10 -0.00 -0.04 2.34 2.15 2bvyA1 LEU 154 H -0.14 0.49 -0.15 -0.55 8.37 8.02 2bvyA1 LEU 154 HA -0.19 -0.00 0.36 -0.75 4.35 3.76 2bvyA1 LEU 154 HB2 -0.27 -0.05 0.11 -0.04 1.64 1.39 2bvyA1 LEU 154 HB3 -0.23 0.15 0.16 -0.04 1.64 1.68 2bvyA1 LEU 154 HG -0.41 0.08 -0.32 -0.04 1.64 0.95 2bvyA1 LEU 154 HD13 -0.64 -0.02 -0.05 -0.04 0.93 0.18 2bvyA1 LEU 154 HD23 -1.03 -0.03 -0.10 -0.04 0.89 -0.31 2bvyA1 ALA 155 H -0.22 0.55 -0.23 -0.55 8.40 7.96 2bvyA1 ALA 155 HA -0.16 0.02 0.37 -0.75 4.34 3.81 2bvyA1 ALA 155 HB3 -0.62 0.01 0.08 -0.04 1.41 0.84 2bvyA1 ASP 156 H -0.18 0.45 -0.26 -0.55 8.40 7.86 2bvyA1 ASP 156 HA -0.14 0.04 0.45 -0.75 4.63 4.22 2bvyA1 ASP 156 HB2 -0.14 0.04 0.10 -0.04 2.71 2.66 2bvyA1 ASP 156 HB3 -0.11 0.04 0.10 -0.04 2.70 2.69 2bvyA1 ALA 157 H -0.13 0.45 -0.16 -0.55 8.40 8.01 2bvyA1 ALA 157 HA -0.08 0.07 0.53 -0.75 4.34 4.10 2bvyA1 ALA 157 HB3 -0.09 -0.03 0.06 -0.04 1.41 1.30 2bvyA1 SER 158 H -0.13 0.34 -0.47 -0.55 8.46 7.66 2bvyA1 SER 158 HA -0.10 0.03 0.59 -0.75 4.49 4.26 2bvyA1 SER 158 HB2 -0.10 0.17 0.25 -0.04 3.95 4.22 2bvyA1 SER 158 HB3 -0.09 -0.07 0.10 -0.04 3.93 3.83 2bvyA1 ARG 159 H -0.08 0.42 0.13 -0.55 8.46 8.37 2bvyA1 ARG 159 HA -0.09 0.18 1.00 -0.75 4.34 4.67 2bvyA1 ARG 159 HB2 -0.07 -0.02 -0.08 -0.04 1.90 1.69 2bvyA1 ARG 159 HB3 -0.07 -0.05 -0.29 -0.04 1.80 1.35 2bvyA1 ARG 159 HG2 -0.08 -0.04 -0.40 -0.04 1.67 1.11 2bvyA1 ARG 159 HG3 -0.09 0.01 -0.58 -0.04 1.67 0.97 2bvyA1 ARG 159 HD2 -0.07 -0.02 -0.05 -0.04 3.22 3.04 2bvyA1 ARG 159 HD3 -0.06 -0.03 -0.05 -0.04 3.22 3.03 2bvyA1 ARG 160 H -0.09 0.72 0.16 -0.55 8.46 8.70 2bvyA1 ARG 160 HA -0.07 0.11 0.46 -0.75 4.34 4.09 2bvyA1 ARG 160 HB2 -0.07 -0.15 0.07 -0.04 1.90 1.72 2bvyA1 ARG 160 HB3 -0.05 -0.11 0.14 -0.04 1.80 1.74 2bvyA1 ARG 160 HG2 -0.08 0.05 0.01 -0.04 1.67 1.60 2bvyA1 ARG 160 HG3 -0.11 0.10 -0.03 -0.04 1.67 1.59 2bvyA1 ARG 160 HD2 -0.09 -0.04 -0.03 -0.04 3.22 3.02 2bvyA1 ARG 160 HD3 -0.06 -0.06 0.00 -0.04 3.22 3.07 2bvyA1 ASP 161 H -0.04 0.16 0.16 -0.55 8.40 8.14 2bvyA1 ASP 161 HA -0.04 0.16 0.41 -0.75 4.63 4.41 2bvyA1 ASP 161 HB2 -0.03 -0.03 0.13 -0.04 2.71 2.74 2bvyA1 ASP 161 HB3 -0.03 0.02 0.06 -0.04 2.70 2.71 2bvyA1 ASP 162 H -0.04 0.03 -0.26 -0.55 8.40 7.58 2bvyA1 ASP 162 HA -0.03 0.14 0.47 -0.75 4.63 4.46 2bvyA1 ASP 162 HB2 -0.03 0.05 0.13 -0.04 2.71 2.82 2bvyA1 ASP 162 HB3 -0.03 -0.00 0.07 -0.04 2.70 2.69 2bvyA1 GLY 163 H -0.05 0.52 -0.75 -0.55 8.43 7.61 2bvyA1 GLY 163 HA2 -0.05 0.09 0.19 -0.51 4.01 3.74 2bvyA1 GLY 163 HA3 -0.04 0.11 0.53 -0.51 4.01 4.10 2bvyA1 THR 164 H -0.05 -0.06 -0.38 -0.55 8.28 7.24 2bvyA1 THR 164 HA -0.06 0.07 0.45 -0.75 4.39 4.10 2bvyA1 THR 164 HB -0.08 -0.11 0.04 -0.04 4.32 4.14 2bvyA1 THR 164 HG23 -0.09 0.07 -0.06 -0.04 1.22 1.10 2bvyA1 LEU 165 H -0.08 0.05 0.22 -0.55 8.37 8.01 2bvyA1 LEU 165 HA -0.10 0.23 0.56 -0.75 4.35 4.28 2bvyA1 LEU 165 HB2 -0.09 -0.16 0.15 -0.04 1.64 1.50 2bvyA1 LEU 165 HB3 -0.10 0.07 -0.01 -0.04 1.64 1.55 2bvyA1 LEU 165 HG -0.08 0.03 0.09 -0.04 1.64 1.63 2bvyA1 LEU 165 HD13 -0.09 -0.05 0.03 -0.04 0.93 0.78 2bvyA1 LEU 165 HD23 -0.11 0.04 0.01 -0.04 0.89 0.78 2bvyA1 ILE 166 H -0.12 1.02 0.43 -0.55 8.25 9.03 2bvyA1 ILE 166 HA -0.28 0.06 0.67 -0.75 4.18 3.89 2bvyA1 ILE 166 HB -0.10 0.00 0.03 -0.04 1.89 1.78 2bvyA1 ILE 166 HG12 -0.16 -0.03 -0.12 -0.04 1.49 1.14 2bvyA1 ILE 166 HG13 -0.12 0.02 -0.21 -0.04 1.21 0.85 2bvyA1 ILE 166 HG23 -0.14 0.03 -0.11 -0.04 0.93 0.67 2bvyA1 ILE 166 HD13 -0.09 -0.01 -0.29 -0.04 0.88 0.44 2bvyA1 PRO 167 HA -0.01 0.14 0.50 -0.51 4.44 4.56 2bvyA1 PRO 167 HB2 0.06 -0.01 -0.04 -0.04 2.28 2.25 2bvyA1 PRO 167 HB3 0.06 -0.02 -0.04 -0.04 2.02 1.98 2bvyA1 PRO 167 HG2 -0.57 0.06 -0.15 -0.04 2.03 1.32 2bvyA1 PRO 167 HG3 -0.19 -0.08 -0.12 -0.04 2.03 1.60 2bvyA1 PRO 167 HD2 -0.91 0.07 0.18 -0.04 3.68 2.98 2bvyA1 PRO 167 HD3 -0.49 0.29 0.32 -0.04 3.65 3.73 2bvyA1 ILE 168 H 0.11 0.57 0.33 -0.55 8.25 8.71 2bvyA1 ILE 168 HA 0.06 0.25 0.84 -0.75 4.18 4.57 2bvyA1 ILE 168 HB 0.17 -0.01 0.04 -0.04 1.89 2.05 2bvyA1 ILE 168 HG12 0.07 -0.05 -0.17 -0.04 1.49 1.29 2bvyA1 ILE 168 HG13 0.05 0.23 -0.74 -0.04 1.21 0.71 2bvyA1 ILE 168 HG23 -0.07 -0.06 -0.40 -0.04 0.93 0.37 2bvyA1 ILE 168 HD13 0.06 -0.04 -0.11 -0.04 0.88 0.75 2bvyA1 VAL 169 H 0.02 0.62 0.29 -0.55 8.24 8.62 2bvyA1 VAL 169 HA -0.01 0.14 0.79 -0.75 4.13 4.29 2bvyA1 VAL 169 HB 0.01 -0.08 0.16 -0.04 2.12 2.17 2bvyA1 VAL 169 HG13 0.14 -0.01 -0.27 -0.04 0.97 0.79 2bvyA1 VAL 169 HG23 0.05 0.03 -0.12 -0.04 0.95 0.86 2bvyA1 PHE 170 H -0.21 0.79 0.39 -0.55 8.34 8.77 2bvyA1 PHE 170 HA -0.33 0.09 0.84 -0.75 4.62 4.46 2bvyA1 PHE 170 HB2 -1.61 0.00 0.00 -0.04 3.15 1.51 2bvyA1 PHE 170 HB3 -0.77 0.04 0.14 -0.04 3.06 2.44 2bvyA1 PHE 170 HD2 -0.15 0.03 -0.04 -0.04 7.28 7.08 2bvyA1 PHE 170 HE2 -0.03 -0.03 -0.14 -0.04 7.38 7.14 2bvyA1 PHE 170 HZ -0.12 -0.06 -0.09 -0.04 7.32 7.02 2bvyA1 ARG 171 H -0.35 0.69 0.24 -0.55 8.46 8.49 2bvyA1 ARG 171 HA -0.10 0.40 0.97 -0.75 4.34 4.86 2bvyA1 ARG 171 HB2 0.02 0.00 -0.21 -0.04 1.90 1.68 2bvyA1 ARG 171 HB3 -0.09 -0.08 0.05 -0.04 1.80 1.64 2bvyA1 ARG 171 HG2 -0.02 -0.11 -0.13 -0.04 1.67 1.37 2bvyA1 ARG 171 HG3 0.10 0.11 -0.28 -0.04 1.67 1.56 2bvyA1 ARG 171 HD2 0.11 -0.08 -0.18 -0.04 3.22 3.03 2bvyA1 ARG 171 HD3 0.14 0.05 -0.20 -0.04 3.22 3.17 2bvyA1 PRO 172 HA -0.82 -0.08 0.64 -0.51 4.44 3.67 2bvyA1 PRO 172 HB2 -1.52 0.04 -0.01 -0.04 2.28 0.74 2bvyA1 PRO 172 HB3 -1.20 -0.02 0.00 -0.04 2.02 0.77 2bvyA1 PRO 172 HG2 -0.34 0.08 -0.01 -0.04 2.03 1.72 2bvyA1 PRO 172 HG3 -0.39 0.07 -0.02 -0.04 2.03 1.64 2bvyA1 PRO 172 HD2 -0.05 0.37 0.23 -0.04 3.68 4.19 2bvyA1 PRO 172 HD3 -1.06 0.08 -0.30 -0.04 3.65 2.34 2bvyA1 TRP 173 H -1.37 0.09 0.18 -0.55 7.97 6.32 2bvyA1 TRP 173 HA -1.49 -0.02 0.32 -0.75 4.62 2.68 2bvyA1 TRP 173 HB2 0.25 0.16 0.01 -0.04 3.23 3.61 2bvyA1 TRP 173 HB3 0.02 0.05 0.12 -0.04 3.23 3.37 2bvyA1 TRP 173 HD1 -0.16 0.09 -0.20 -0.04 7.22 6.92 2bvyA1 TRP 173 HE1 -0.08 0.07 -0.09 -0.04 10.20 10.05 2bvyA1 TRP 173 HE3 -2.19 -0.01 0.04 -0.04 7.59 5.40 2bvyA1 TRP 173 HZ2 0.08 0.04 -0.04 -0.04 7.44 7.48 2bvyA1 TRP 173 HZ3 -0.96 -0.03 -0.02 -0.04 7.13 6.07 2bvyA1 TRP 173 HH2 0.20 -0.01 -0.03 -0.04 7.19 7.31 2bvyA1 HIS 174 H 0.47 -0.04 -0.19 -0.55 8.41 8.11 2bvyA1 HIS 174 HA 0.19 0.16 0.38 -0.75 4.63 4.61 2bvyA1 HIS 174 HB2 0.14 -0.01 0.04 -0.04 3.26 3.40 2bvyA1 HIS 174 HB3 0.06 0.10 -0.08 -0.04 3.20 3.24 2bvyA1 HIS 174 HD2 0.19 -0.00 -0.18 -0.04 6.97 6.93 2bvyA1 HIS 174 HE1 -1.00 -0.06 -0.16 -0.04 7.75 6.48 2bvyA1 GLU 175 H 0.18 0.63 0.21 -0.55 8.60 9.07 2bvyA1 GLU 175 HA 0.11 0.12 -0.10 -0.75 4.29 3.67 2bvyA1 GLU 175 HB2 0.28 0.09 -0.31 -0.04 2.09 2.11 2bvyA1 GLU 175 HB3 0.31 -0.08 0.16 -0.04 1.99 2.34 2bvyA1 GLU 175 HG2 0.33 -0.04 -0.02 -0.04 2.34 2.57 2bvyA1 GLU 175 HG3 0.34 0.02 -0.12 -0.04 2.34 2.54 2bvyA1 ASN 176 H 0.05 0.13 -0.22 -0.55 8.53 7.95 2bvyA1 ASN 176 HA -0.07 0.05 0.40 -0.75 4.76 4.39 2bvyA1 ASN 176 HB2 -0.24 0.08 0.10 -0.04 2.88 2.78 2bvyA1 ASN 176 HB3 0.31 0.13 -0.02 -0.04 2.79 3.16 2bvyA1 ASN 176 HD21 -0.18 -0.06 -0.05 -0.04 7.03 6.70 2bvyA1 ASN 176 HD22 0.02 -0.07 0.00 -0.04 7.74 7.65 2bvyA1 ALA 177 H -0.10 0.44 -0.19 -0.55 8.40 8.00 2bvyA1 ALA 177 HA -0.09 0.12 0.55 -0.75 4.34 4.16 2bvyA1 ALA 177 HB3 0.07 -0.03 0.05 -0.04 1.41 1.46 2bvyA1 GLY 178 H -0.54 0.27 -0.23 -0.55 8.43 7.39 2bvyA1 GLY 178 HA2 -0.49 0.21 0.81 -0.51 4.01 4.03 2bvyA1 GLY 178 HA3 -1.69 -0.05 0.34 -0.51 4.01 2.10 2bvyA1 SER 179 H -0.62 0.15 0.11 -0.55 8.46 7.55 2bvyA1 SER 179 HA -0.37 0.22 1.06 -0.75 4.49 4.65 2bvyA1 SER 179 HB2 -0.14 0.03 0.07 -0.04 3.95 3.87 2bvyA1 SER 179 HB3 -0.15 0.06 0.16 -0.04 3.93 3.97 2bvyA1 TRP 180 H -1.44 0.10 -0.05 -0.55 7.97 6.03 2bvyA1 TRP 180 HA -0.06 0.19 0.69 -0.75 4.62 4.69 2bvyA1 TRP 180 HB2 -0.18 0.00 0.06 -0.04 3.23 3.07 2bvyA1 TRP 180 HB3 -0.19 0.00 0.06 -0.04 3.23 3.06 2bvyA1 TRP 180 HD1 -2.14 0.00 -0.23 -0.04 7.22 4.81 2bvyA1 TRP 180 HE1 -0.66 0.01 -0.06 -0.04 10.20 9.44 2bvyA1 TRP 180 HE3 -0.15 0.03 0.00 -0.04 7.59 7.43 2bvyA1 TRP 180 HZ2 -0.13 -0.01 0.03 -0.04 7.44 7.29 2bvyA1 TRP 180 HZ3 -0.11 0.05 0.04 -0.04 7.13 7.07 2bvyA1 TRP 180 HH2 -0.11 0.04 0.02 -0.04 7.19 7.10 2bvyA1 PHE 181 H -0.59 0.07 -0.19 -0.55 8.34 7.07 2bvyA1 PHE 181 HA -0.35 0.42 0.82 -0.75 4.62 4.75 2bvyA1 PHE 181 HB2 -1.50 0.05 -0.09 -0.04 3.15 1.58 2bvyA1 PHE 181 HB3 -2.96 -0.05 -0.01 -0.04 3.06 0.00 2bvyA1 PHE 181 HD2 -0.27 0.25 -0.20 -0.04 7.28 7.02 2bvyA1 PHE 181 HE2 -0.13 -0.03 -0.20 -0.04 7.38 6.98 2bvyA1 PHE 181 HZ 0.16 -0.04 -0.14 -0.04 7.32 7.26 2bvyA1 TRP 182 H -0.28 0.39 0.08 -0.55 7.97 7.61 2bvyA1 TRP 182 HA -0.37 0.12 0.35 -0.75 4.62 3.97 2bvyA1 TRP 182 HB2 -0.07 -0.15 0.11 -0.04 3.23 3.09 2bvyA1 TRP 182 HB3 -0.11 0.33 0.13 -0.04 3.23 3.54 2bvyA1 TRP 182 HD1 0.09 0.15 0.02 -0.04 7.22 7.44 2bvyA1 TRP 182 HE1 0.25 0.33 -0.48 -0.04 10.20 10.26 2bvyA1 TRP 182 HE3 0.25 -0.06 -0.51 -0.04 7.59 7.23 2bvyA1 TRP 182 HZ2 0.23 0.05 -0.17 -0.04 7.44 7.51 2bvyA1 TRP 182 HZ3 0.12 0.06 -0.23 -0.04 7.13 7.03 2bvyA1 TRP 182 HH2 0.45 0.03 -0.10 -0.04 7.19 7.53 2bvyA1 TRP 183 H -0.85 0.02 -0.52 -0.55 7.97 6.08 2bvyA1 TRP 183 HA 0.21 0.16 0.74 -0.75 4.62 4.98 2bvyA1 TRP 183 HB2 -0.01 0.08 0.12 -0.04 3.23 3.38 2bvyA1 TRP 183 HB3 -0.57 -0.04 -0.03 -0.04 3.23 2.55 2bvyA1 TRP 183 HD1 0.26 0.10 -0.24 -0.04 7.22 7.29 2bvyA1 TRP 183 HE1 -0.00 0.55 -0.32 -0.04 10.20 10.39 2bvyA1 TRP 183 HE3 -2.42 0.02 -0.08 -0.04 7.59 5.07 2bvyA1 TRP 183 HZ2 -1.17 -0.03 -0.05 -0.04 7.44 6.15 2bvyA1 TRP 183 HZ3 -0.58 0.21 0.02 -0.04 7.13 6.74 2bvyA1 TRP 183 HH2 -0.76 -0.17 0.10 -0.04 7.19 6.32 2bvyA1 GLY 184 H 0.12 0.32 -0.44 -0.55 8.43 7.89 2bvyA1 GLY 184 HA2 -0.15 0.13 0.53 -0.51 4.01 4.02 2bvyA1 GLY 184 HA3 -0.18 -0.04 0.45 -0.51 4.01 3.73 2bvyA1 ALA 185 H -0.26 0.48 0.05 -0.55 8.40 8.13 2bvyA1 ALA 185 HA -0.09 0.18 0.34 -0.75 4.34 4.02 2bvyA1 ALA 185 HB3 -0.15 0.00 0.05 -0.04 1.41 1.27 2bvyA1 ALA 186 H -0.62 0.05 -0.38 -0.55 8.40 6.91 2bvyA1 ALA 186 HA -0.29 0.18 0.65 -0.75 4.34 4.13 2bvyA1 ALA 186 HB3 -0.66 -0.01 0.04 -0.04 1.41 0.74 2bvyA1 TYR 187 H -0.34 0.52 -0.32 -0.55 8.29 7.60 2bvyA1 TYR 187 HA 0.04 0.16 0.88 -0.75 4.56 4.89 2bvyA1 TYR 187 HB2 0.14 0.17 0.02 -0.04 3.06 3.35 2bvyA1 TYR 187 HB3 0.12 -0.19 0.17 -0.04 2.98 3.04 2bvyA1 TYR 187 HD2 0.03 -0.00 -0.14 -0.04 7.15 7.00 2bvyA1 TYR 187 HE2 -0.04 0.03 -0.07 -0.04 6.85 6.73 2bvyA1 GLY 188 H 0.00 0.32 -0.29 -0.55 8.43 7.92 2bvyA1 GLY 188 HA2 0.07 -0.04 0.39 -0.51 4.01 3.92 2bvyA1 GLY 188 HA3 0.12 0.05 0.26 -0.51 4.01 3.93 2bvyA1 SER 189 H 0.04 0.09 0.07 -0.55 8.46 8.11 2bvyA1 SER 189 HA 0.02 0.18 0.45 -0.75 4.49 4.38 2bvyA1 SER 189 HB2 0.01 0.04 0.19 -0.04 3.95 4.15 2bvyA1 SER 189 HB3 0.01 0.17 0.12 -0.04 3.93 4.19 2bvyA1 PRO 190 HA 0.10 0.09 0.42 -0.51 4.44 4.54 2bvyA1 PRO 190 HB2 0.04 -0.01 0.10 -0.04 2.28 2.36 2bvyA1 PRO 190 HB3 0.05 0.27 0.07 -0.04 2.02 2.37 2bvyA1 PRO 190 HG2 0.03 0.04 0.10 -0.04 2.03 2.15 2bvyA1 PRO 190 HG3 0.02 0.05 0.07 -0.04 2.03 2.14 2bvyA1 PRO 190 HD2 0.02 0.07 0.24 -0.04 3.68 3.97 2bvyA1 PRO 190 HD3 0.01 0.16 0.25 -0.04 3.65 4.03 2bvyA1 GLY 191 H 0.03 0.13 -0.22 -0.55 8.43 7.82 2bvyA1 GLY 191 HA2 0.01 0.08 0.42 -0.51 4.01 4.01 2bvyA1 GLY 191 HA3 0.01 0.20 0.29 -0.51 4.01 4.01 2bvyA1 GLU 192 H 0.04 0.12 -0.29 -0.55 8.60 7.92 2bvyA1 GLU 192 HA -0.00 0.04 0.43 -0.75 4.29 4.00 2bvyA1 GLU 192 HB2 0.06 0.07 0.02 -0.04 2.09 2.20 2bvyA1 GLU 192 HB3 0.04 0.01 -0.01 -0.04 1.99 1.99 2bvyA1 GLU 192 HG2 0.00 0.01 -0.01 -0.04 2.34 2.30 2bvyA1 GLU 192 HG3 0.02 0.06 -0.09 -0.04 2.34 2.29 2bvyA1 TYR 193 H 0.17 0.52 -0.30 -0.55 8.29 8.13 2bvyA1 TYR 193 HA 0.00 -0.01 0.35 -0.75 4.56 4.15 2bvyA1 TYR 193 HB2 0.08 0.07 0.00 -0.04 3.06 3.16 2bvyA1 TYR 193 HB3 0.06 0.17 0.12 -0.04 2.98 3.28 2bvyA1 TYR 193 HD2 0.13 0.15 -0.05 -0.04 7.15 7.34 2bvyA1 TYR 193 HE2 0.39 0.01 -0.00 -0.04 6.85 7.21 2bvyA1 GLN 194 H 0.09 0.54 -0.15 -0.55 8.47 8.41 2bvyA1 GLN 194 HA -0.15 0.02 0.39 -0.75 4.36 3.87 2bvyA1 GLN 194 HB2 -0.05 0.06 0.17 -0.04 2.15 2.29 2bvyA1 GLN 194 HB3 -0.17 -0.04 0.01 -0.04 2.02 1.78 2bvyA1 GLN 194 HG2 -0.11 0.05 -0.27 -0.04 2.40 2.03 2bvyA1 GLN 194 HG3 0.10 0.10 0.01 -0.04 2.39 2.56 2bvyA1 GLN 194 HE21 -0.03 -0.12 -0.08 -0.04 6.97 6.70 2bvyA1 GLN 194 HE22 -0.10 0.45 -0.23 -0.04 7.69 7.77 2bvyA1 GLU 195 H -0.07 0.50 -0.21 -0.55 8.60 8.28 2bvyA1 GLU 195 HA -0.07 -0.00 0.47 -0.75 4.29 3.94 2bvyA1 GLU 195 HB2 -0.03 0.08 0.20 -0.04 2.09 2.29 2bvyA1 GLU 195 HB3 0.02 -0.04 0.12 -0.04 1.99 2.04 2bvyA1 GLU 195 HG2 -0.02 0.14 0.10 -0.04 2.34 2.53 2bvyA1 GLU 195 HG3 -0.00 0.09 0.10 -0.04 2.34 2.49 2bvyA1 LEU 196 H -0.15 0.52 -0.17 -0.55 8.37 8.02 2bvyA1 LEU 196 HA -0.05 -0.01 0.41 -0.75 4.35 3.95 2bvyA1 LEU 196 HB2 -0.26 0.04 0.11 -0.04 1.64 1.49 2bvyA1 LEU 196 HB3 -0.51 0.19 0.21 -0.04 1.64 1.49 2bvyA1 LEU 196 HG -1.46 -0.03 -0.24 -0.04 1.64 -0.13 2bvyA1 LEU 196 HD13 -0.29 -0.02 -0.03 -0.04 0.93 0.55 2bvyA1 LEU 196 HD23 -1.07 -0.01 -0.02 -0.04 0.89 -0.25 2bvyA1 TYR 197 H -0.30 0.66 -0.06 -0.55 8.29 8.05 2bvyA1 TYR 197 HA 0.12 -0.04 0.38 -0.75 4.56 4.26 2bvyA1 TYR 197 HB2 -0.45 0.05 0.09 -0.04 3.06 2.71 2bvyA1 TYR 197 HB3 -0.27 0.09 0.12 -0.04 2.98 2.88 2bvyA1 TYR 197 HD2 0.16 0.02 -0.18 -0.04 7.15 7.11 2bvyA1 TYR 197 HE2 0.25 0.22 -0.02 -0.04 6.85 7.25 2bvyA1 ARG 198 H -0.17 0.78 -0.07 -0.55 8.46 8.45 2bvyA1 ARG 198 HA -0.50 0.01 0.37 -0.75 4.34 3.46 2bvyA1 ARG 198 HB2 -0.34 0.05 0.16 -0.04 1.90 1.73 2bvyA1 ARG 198 HB3 -0.76 -0.10 -0.04 -0.04 1.80 0.86 2bvyA1 ARG 198 HG2 -2.54 -0.05 -0.01 -0.04 1.67 -0.97 2bvyA1 ARG 198 HG3 -0.72 0.09 0.12 -0.04 1.67 1.12 2bvyA1 ARG 198 HD2 -0.49 -0.04 -0.23 -0.04 3.22 2.42 2bvyA1 ARG 198 HD3 -1.33 -0.11 -0.09 -0.04 3.22 1.65 2bvyA1 PHE 199 H 0.19 0.79 -0.15 -0.55 8.34 8.62 2bvyA1 PHE 199 HA 0.24 -0.05 0.37 -0.75 4.62 4.42 2bvyA1 PHE 199 HB2 0.29 -0.01 0.11 -0.04 3.15 3.49 2bvyA1 PHE 199 HB3 0.13 0.18 0.17 -0.04 3.06 3.50 2bvyA1 PHE 199 HD2 0.35 0.03 -0.08 -0.04 7.28 7.54 2bvyA1 PHE 199 HE2 0.02 -0.03 -0.10 -0.04 7.38 7.23 2bvyA1 PHE 199 HZ -0.36 -0.03 -0.07 -0.04 7.32 6.82 2bvyA1 THR 200 H 0.16 0.56 -0.25 -0.55 8.28 8.20 2bvyA1 THR 200 HA 0.01 -0.05 0.39 -0.75 4.39 3.98 2bvyA1 THR 200 HB 0.08 0.21 0.15 -0.04 4.32 4.72 2bvyA1 THR 200 HG23 0.35 -0.05 -0.07 -0.04 1.22 1.41 2bvyA1 VAL 201 H -0.06 0.54 -0.14 -0.55 8.24 8.03 2bvyA1 VAL 201 HA -0.19 -0.01 0.43 -0.75 4.13 3.61 2bvyA1 VAL 201 HB 0.11 0.09 0.18 -0.04 2.12 2.46 2bvyA1 VAL 201 HG13 -0.30 -0.01 -0.11 -0.04 0.97 0.51 2bvyA1 VAL 201 HG23 -0.30 0.06 0.05 -0.04 0.95 0.72 2bvyA1 GLU 202 H 0.04 0.67 0.01 -0.55 8.60 8.77 2bvyA1 GLU 202 HA 0.02 -0.01 0.42 -0.75 4.29 3.96 2bvyA1 GLU 202 HB2 0.07 0.05 0.09 -0.04 2.09 2.26 2bvyA1 GLU 202 HB3 0.05 -0.04 0.01 -0.04 1.99 1.97 2bvyA1 GLU 202 HG2 0.27 -0.02 -0.01 -0.04 2.34 2.54 2bvyA1 GLU 202 HG3 0.31 0.13 0.09 -0.04 2.34 2.82 2bvyA1 TYR 203 H -0.21 0.76 -0.15 -0.55 8.29 8.15 2bvyA1 TYR 203 HA -0.26 0.00 0.39 -0.75 4.56 3.94 2bvyA1 TYR 203 HB2 -1.24 0.07 0.09 -0.04 3.06 1.93 2bvyA1 TYR 203 HB3 -0.47 0.05 0.10 -0.04 2.98 2.62 2bvyA1 TYR 203 HD2 -0.11 0.00 -0.13 -0.04 7.15 6.88 2bvyA1 TYR 203 HE2 0.00 -0.01 -0.12 -0.04 6.85 6.68 2bvyA1 LEU 204 H 0.01 0.53 -0.13 -0.55 8.37 8.23 2bvyA1 LEU 204 HA -0.13 0.01 0.47 -0.75 4.35 3.95 2bvyA1 LEU 204 HB2 0.18 0.16 0.17 -0.04 1.64 2.10 2bvyA1 LEU 204 HB3 0.00 -0.08 0.01 -0.04 1.64 1.53 2bvyA1 LEU 204 HG 0.17 0.08 0.10 -0.04 1.64 1.95 2bvyA1 LEU 204 HD13 0.22 -0.02 -0.04 -0.04 0.93 1.05 2bvyA1 LEU 204 HD23 0.02 -0.03 -0.01 -0.04 0.89 0.83 2bvyA1 ARG 205 H -0.02 0.68 -0.04 -0.55 8.46 8.52 2bvyA1 ARG 205 HA -0.03 0.16 0.65 -0.75 4.34 4.37 2bvyA1 ARG 205 HB2 0.08 -0.04 0.06 -0.04 1.90 1.97 2bvyA1 ARG 205 HB3 -0.01 0.03 0.13 -0.04 1.80 1.90 2bvyA1 ARG 205 HG2 -0.01 -0.00 -0.32 -0.04 1.67 1.30 2bvyA1 ARG 205 HG3 0.04 0.04 -0.01 -0.04 1.67 1.69 2bvyA1 ARG 205 HD2 0.02 -0.09 0.03 -0.04 3.22 3.13 2bvyA1 ARG 205 HD3 0.03 0.00 -0.11 -0.04 3.22 3.11 2bvyA1 ASP 206 H -0.07 0.44 0.18 -0.55 8.40 8.41 2bvyA1 ASP 206 HA -0.06 0.11 0.63 -0.75 4.63 4.56 2bvyA1 ASP 206 HB2 -0.06 0.10 0.13 -0.04 2.71 2.83 2bvyA1 ASP 206 HB3 -0.04 -0.00 0.13 -0.04 2.70 2.75 2bvyA1 VAL 207 H -0.25 0.24 -0.11 -0.55 8.24 7.56 2bvyA1 VAL 207 HA -0.18 0.24 1.01 -0.75 4.13 4.44 2bvyA1 VAL 207 HB -0.83 0.19 0.17 -0.04 2.12 1.61 2bvyA1 VAL 207 HG13 -0.26 -0.03 -0.06 -0.04 0.97 0.58 2bvyA1 VAL 207 HG23 -0.19 0.00 -0.14 -0.04 0.95 0.58 2bvyA1 LYS 208 H -0.34 0.29 0.01 -0.55 8.42 7.84 2bvyA1 LYS 208 HA -0.22 0.13 0.76 -0.75 4.32 4.24 2bvyA1 LYS 208 HB2 -0.23 0.17 0.23 -0.04 1.87 2.00 2bvyA1 LYS 208 HB3 -0.19 -0.08 0.12 -0.04 1.79 1.61 2bvyA1 LYS 208 HG2 -0.77 0.21 -0.04 -0.04 1.46 0.81 2bvyA1 LYS 208 HG3 -0.20 -0.09 -0.05 -0.04 1.46 1.09 2bvyA1 LYS 208 HD2 -0.30 0.12 -0.19 -0.04 1.69 1.28 2bvyA1 LYS 208 HD3 -0.26 -0.06 -0.10 -0.04 1.68 1.21 2bvyA1 LYS 208 HE2 -0.06 -0.06 0.03 -0.04 2.99 2.86 2bvyA1 LYS 208 HE3 -0.12 0.05 0.05 -0.04 2.99 2.92 2bvyA1 GLY 209 H -0.15 0.11 -0.29 -0.55 8.43 7.54 2bvyA1 GLY 209 HA2 -0.09 0.20 0.30 -0.51 4.01 3.90 2bvyA1 GLY 209 HA3 -0.10 0.02 0.43 -0.51 4.01 3.85 2bvyA1 VAL 210 H -0.16 0.52 0.03 -0.55 8.24 8.08 2bvyA1 VAL 210 HA -0.24 0.01 0.38 -0.75 4.13 3.52 2bvyA1 VAL 210 HB -0.20 -0.00 -0.12 -0.04 2.12 1.76 2bvyA1 VAL 210 HG13 -0.89 -0.04 -0.15 -0.04 0.97 -0.16 2bvyA1 VAL 210 HG23 -0.34 0.03 0.04 -0.04 0.95 0.63 2bvyA1 SER 211 H -0.17 0.08 0.21 -0.55 8.46 8.03 2bvyA1 SER 211 HA -0.02 0.25 0.97 -0.75 4.49 4.93 2bvyA1 SER 211 HB2 -0.03 -0.06 0.33 -0.04 3.95 4.15 2bvyA1 SER 211 HB3 -0.05 0.21 -0.06 -0.04 3.93 3.99 2bvyA1 ASN 212 H -0.18 0.11 0.03 -0.55 8.53 7.95 2bvyA1 ASN 212 HA 0.00 0.15 0.90 -0.75 4.76 5.05 2bvyA1 ASN 212 HB2 -0.04 0.05 -0.09 -0.04 2.88 2.77 2bvyA1 ASN 212 HB3 -0.08 -0.03 -0.11 -0.04 2.79 2.53 2bvyA1 ASN 212 HD21 -0.12 0.14 0.16 -0.04 7.03 7.16 2bvyA1 ASN 212 HD22 -0.06 0.58 0.09 -0.04 7.74 8.31 2bvyA1 PHE 213 H 0.10 0.18 -0.23 -0.55 8.34 7.83 2bvyA1 PHE 213 HA -0.12 0.40 1.13 -0.75 4.62 5.27 2bvyA1 PHE 213 HB2 -0.15 -0.03 -0.05 -0.04 3.15 2.88 2bvyA1 PHE 213 HB3 -0.74 0.02 -0.18 -0.04 3.06 2.12 2bvyA1 PHE 213 HD2 -0.20 0.14 -0.16 -0.04 7.28 7.01 2bvyA1 PHE 213 HE2 -0.53 0.01 -0.10 -0.04 7.38 6.72 2bvyA1 PHE 213 HZ -0.43 -0.01 -0.09 -0.04 7.32 6.75 2bvyA1 LEU 214 H -0.06 0.68 0.44 -0.55 8.37 8.88 2bvyA1 LEU 214 HA 0.12 0.13 0.76 -0.75 4.35 4.60 2bvyA1 LEU 214 HB2 0.07 -0.07 0.03 -0.04 1.64 1.63 2bvyA1 LEU 214 HB3 0.13 0.02 -0.06 -0.04 1.64 1.69 2bvyA1 LEU 214 HG 0.11 -0.04 -0.26 -0.04 1.64 1.41 2bvyA1 LEU 214 HD13 0.14 0.01 -0.16 -0.04 0.93 0.87 2bvyA1 LEU 214 HD23 0.13 0.07 -0.09 -0.04 0.89 0.96 2bvyA1 TYR 215 H 0.36 0.14 0.12 -0.55 8.29 8.36 2bvyA1 TYR 215 HA 0.19 0.35 1.11 -0.75 4.56 5.46 2bvyA1 TYR 215 HB2 0.27 -0.04 0.16 -0.04 3.06 3.41 2bvyA1 TYR 215 HB3 0.36 0.12 0.08 -0.04 2.98 3.50 2bvyA1 TYR 215 HD2 0.21 -0.01 -0.05 -0.04 7.15 7.26 2bvyA1 TYR 215 HE2 0.30 0.01 -0.12 -0.04 6.85 7.01 2bvyA1 ALA 216 H 0.21 0.78 0.41 -0.55 8.40 9.26 2bvyA1 ALA 216 HA 0.32 0.20 1.06 -0.75 4.34 5.17 2bvyA1 ALA 216 HB3 0.19 -0.04 -0.16 -0.04 1.41 1.37 2bvyA1 TRP 217 H 0.41 0.71 0.31 -0.55 7.97 8.86 2bvyA1 TRP 217 HA 0.20 0.16 0.79 -0.75 4.62 5.02 2bvyA1 TRP 217 HB2 -0.19 0.09 -0.11 -0.04 3.23 2.98 2bvyA1 TRP 217 HB3 0.08 0.03 0.11 -0.04 3.23 3.41 2bvyA1 TRP 217 HD1 -0.12 0.09 -0.04 -0.04 7.22 7.10 2bvyA1 TRP 217 HE1 0.09 0.07 -0.16 -0.04 10.20 10.16 2bvyA1 TRP 217 HE3 0.08 -0.00 0.06 -0.04 7.59 7.70 2bvyA1 TRP 217 HZ2 -0.19 -0.06 -0.20 -0.04 7.44 6.95 2bvyA1 TRP 217 HZ3 -0.53 -0.00 -0.03 -0.04 7.13 6.52 2bvyA1 TRP 217 HH2 -0.85 0.28 0.01 -0.04 7.19 6.59 2bvyA1 GLY 218 H -0.17 0.26 -0.05 -0.55 8.43 7.93 2bvyA1 GLY 218 HA2 -0.48 0.35 0.79 -0.51 4.01 4.16 2bvyA1 GLY 218 HA3 -0.08 -0.08 0.20 -0.51 4.01 3.54 2bvyA1 PRO 219 HA -0.22 -0.05 0.48 -0.51 4.44 4.14 2bvyA1 PRO 219 HB2 -0.02 0.01 0.02 -0.04 2.28 2.25 2bvyA1 PRO 219 HB3 -0.37 0.11 0.05 -0.04 2.02 1.77 2bvyA1 PRO 219 HG2 -0.16 -0.04 -0.04 -0.04 2.03 1.75 2bvyA1 PRO 219 HG3 -1.12 0.26 0.07 -0.04 2.03 1.21 2bvyA1 PRO 219 HD2 -0.77 0.27 0.18 -0.04 3.68 3.32 2bvyA1 PRO 219 HD3 -3.21 0.20 -0.01 -0.04 3.65 0.59 2bvyA1 GLY 220 H 0.12 0.22 -0.28 -0.55 8.43 7.94 2bvyA1 GLY 220 HA2 0.22 -0.00 0.30 -0.51 4.01 4.01 2bvyA1 GLY 220 HA3 0.17 0.17 0.89 -0.51 4.01 4.72 2bvyA1 GLY 221 H -0.05 0.25 0.19 -0.55 8.43 8.27 2bvyA1 GLY 221 HA2 0.17 0.09 0.68 -0.51 4.01 4.44 2bvyA1 GLY 221 HA3 0.10 0.21 0.36 -0.51 4.01 4.17 2bvyA1 GLY 222 H 0.01 0.13 0.13 -0.55 8.43 8.16 2bvyA1 GLY 222 HA2 -0.01 -0.02 0.35 -0.51 4.01 3.82 2bvyA1 GLY 222 HA3 -0.08 0.12 0.45 -0.51 4.01 3.99 2bvyA1 PHE 223 H 0.09 0.05 -0.04 -0.55 8.34 7.89 2bvyA1 PHE 223 HA 0.05 0.28 0.64 -0.75 4.62 4.84 2bvyA1 PHE 223 HB2 -0.01 -0.08 -0.02 -0.04 3.15 3.00 2bvyA1 PHE 223 HB3 0.06 0.05 0.06 -0.04 3.06 3.19 2bvyA1 PHE 223 HD2 0.07 -0.04 -0.14 -0.04 7.28 7.12 2bvyA1 PHE 223 HE2 0.10 0.11 -0.39 -0.04 7.38 7.16 2bvyA1 PHE 223 HZ 0.02 -0.06 -0.39 -0.04 7.32 6.85 2bvyA1 GLY 224 H 0.06 0.01 -0.12 -0.55 8.43 7.83 2bvyA1 GLY 224 HA2 0.02 0.05 0.30 -0.51 4.01 3.86 2bvyA1 GLY 224 HA3 0.04 0.13 0.31 -0.51 4.01 3.97 2bvyA1 GLY 225 H 0.06 -0.04 -0.42 -0.55 8.43 7.48 2bvyA1 GLY 225 HA2 -0.04 0.06 0.09 -0.51 4.01 3.61 2bvyA1 GLY 225 HA3 -0.02 0.14 0.34 -0.51 4.01 3.97 2bvyA1 ASN 226 H 0.10 0.42 -0.44 -0.55 8.53 8.06 2bvyA1 ASN 226 HA 0.04 0.12 0.62 -0.75 4.76 4.79 2bvyA1 ASN 226 HB2 0.08 0.18 0.09 -0.04 2.88 3.19 2bvyA1 ASN 226 HB3 0.15 -0.07 0.22 -0.04 2.79 3.05 2bvyA1 ASN 226 HD21 0.05 0.02 0.01 -0.04 7.03 7.06 2bvyA1 ASN 226 HD22 0.06 0.07 0.02 -0.04 7.74 7.85 2bvyA1 ARG 227 H 0.02 0.35 0.22 -0.55 8.46 8.49 2bvyA1 ARG 227 HA 0.04 0.06 0.30 -0.75 4.34 3.99 2bvyA1 ARG 227 HB2 0.01 0.06 0.18 -0.04 1.90 2.11 2bvyA1 ARG 227 HB3 0.02 0.03 -0.04 -0.04 1.80 1.78 2bvyA1 ARG 227 HG2 0.02 -0.01 0.01 -0.04 1.67 1.66 2bvyA1 ARG 227 HG3 -0.02 0.04 0.03 -0.04 1.67 1.68 2bvyA1 ARG 227 HD2 -0.00 -0.01 0.01 -0.04 3.22 3.18 2bvyA1 ARG 227 HD3 0.00 0.01 -0.04 -0.04 3.22 3.16 2bvyA1 ASP 228 H 0.05 0.09 -0.15 -0.55 8.40 7.84 2bvyA1 ASP 228 HA 0.04 0.14 0.37 -0.75 4.63 4.42 2bvyA1 ASP 228 HB2 0.05 -0.04 0.03 -0.04 2.71 2.71 2bvyA1 ASP 228 HB3 0.04 0.07 -0.00 -0.04 2.70 2.77 2bvyA1 VAL 229 H 0.10 0.10 -0.23 -0.55 8.24 7.67 2bvyA1 VAL 229 HA 0.11 0.12 0.50 -0.75 4.13 4.11 2bvyA1 VAL 229 HB 0.29 0.05 0.10 -0.04 2.12 2.52 2bvyA1 VAL 229 HG13 0.26 0.01 -0.05 -0.04 0.97 1.15 2bvyA1 VAL 229 HG23 0.11 -0.01 0.02 -0.04 0.95 1.03 2bvyA1 TYR 230 H 0.10 0.44 -0.11 -0.55 8.29 8.17 2bvyA1 TYR 230 HA -0.83 -0.01 0.32 -0.75 4.56 3.29 2bvyA1 TYR 230 HB2 -0.55 -0.07 0.00 -0.04 3.06 2.40 2bvyA1 TYR 230 HB3 -0.19 0.09 0.08 -0.04 2.98 2.92 2bvyA1 TYR 230 HD2 -0.96 -0.03 -0.09 -0.04 7.15 6.03 2bvyA1 TYR 230 HE2 -0.13 0.04 0.02 -0.04 6.85 6.73 2bvyA1 LEU 231 H 0.06 0.55 -0.19 -0.55 8.37 8.25 2bvyA1 LEU 231 HA -0.01 0.09 0.70 -0.75 4.35 4.38 2bvyA1 LEU 231 HB2 0.01 0.09 0.04 -0.04 1.64 1.73 2bvyA1 LEU 231 HB3 -0.05 -0.02 0.12 -0.04 1.64 1.66 2bvyA1 LEU 231 HG 0.13 -0.00 -0.01 -0.04 1.64 1.72 2bvyA1 LEU 231 HD13 -0.07 -0.01 -0.04 -0.04 0.93 0.78 2bvyA1 LEU 231 HD23 -0.39 0.00 -0.07 -0.04 0.89 0.39 2bvyA1 ARG 232 H 0.06 0.34 -0.46 -0.55 8.46 7.85 2bvyA1 ARG 232 HA 0.05 0.05 0.38 -0.75 4.34 4.06 2bvyA1 ARG 232 HB2 0.06 0.05 0.18 -0.04 1.90 2.14 2bvyA1 ARG 232 HB3 0.07 0.11 0.14 -0.04 1.80 2.09 2bvyA1 ARG 232 HG2 0.05 -0.01 -0.17 -0.04 1.67 1.50 2bvyA1 ARG 232 HG3 0.04 -0.03 0.10 -0.04 1.67 1.74 2bvyA1 ARG 232 HD2 0.03 -0.03 0.03 -0.04 3.22 3.21 2bvyA1 ARG 232 HD3 0.04 -0.02 0.04 -0.04 3.22 3.24 2bvyA1 THR 233 H 0.15 0.12 -0.40 -0.55 8.28 7.61 2bvyA1 THR 233 HA 0.11 0.19 0.73 -0.75 4.39 4.66 2bvyA1 THR 233 HB 0.10 -0.03 -0.02 -0.04 4.32 4.33 2bvyA1 THR 233 HG23 0.46 -0.02 -0.16 -0.04 1.22 1.46 2bvyA1 TYR 234 H 0.02 0.22 -0.36 -0.55 8.29 7.62 2bvyA1 TYR 234 HA -1.78 0.02 0.32 -0.75 4.56 2.36 2bvyA1 TYR 234 HB2 -0.54 -0.07 0.15 -0.04 3.06 2.56 2bvyA1 TYR 234 HB3 -0.31 0.15 0.12 -0.04 2.98 2.90 2bvyA1 TYR 234 HD2 -1.06 0.05 -0.04 -0.04 7.15 6.06 2bvyA1 TYR 234 HE2 -0.16 0.02 -0.10 -0.04 6.85 6.57 2bvyA1 PRO 235 HA -0.43 0.09 0.45 -0.51 4.44 4.04 2bvyA1 PRO 235 HB2 -0.55 0.02 -0.09 -0.04 2.28 1.62 2bvyA1 PRO 235 HB3 -0.37 -0.00 0.02 -0.04 2.02 1.63 2bvyA1 PRO 235 HG2 -1.55 0.01 -0.02 -0.04 2.03 0.43 2bvyA1 PRO 235 HG3 -0.57 0.09 0.05 -0.04 2.03 1.56 2bvyA1 PRO 235 HD2 -1.72 0.04 0.11 -0.04 3.68 2.07 2bvyA1 PRO 235 HD3 -2.05 0.13 0.12 -0.04 3.65 1.82 2bvyA1 GLY 236 H -2.00 0.05 -0.29 -0.55 8.43 5.63 2bvyA1 GLY 236 HA2 -0.54 0.04 0.25 -0.51 4.01 3.25 2bvyA1 GLY 236 HA3 -0.15 0.24 0.84 -0.51 4.01 4.42 2bvyA1 ASP 237 H -0.00 0.19 0.11 -0.55 8.40 8.15 2bvyA1 ASP 237 HA 0.13 0.12 0.36 -0.75 4.63 4.48 2bvyA1 ASP 237 HB2 0.01 -0.02 0.07 -0.04 2.71 2.74 2bvyA1 ASP 237 HB3 0.05 0.13 0.05 -0.04 2.70 2.89 2bvyA1 ALA 238 H -0.17 0.04 -0.35 -0.55 8.40 7.37 2bvyA1 ALA 238 HA -0.21 0.16 0.42 -0.75 4.34 3.96 2bvyA1 ALA 238 HB3 -0.52 0.01 -0.01 -0.04 1.41 0.84 2bvyA1 PHE 239 H -0.08 0.50 -0.50 -0.55 8.34 7.71 2bvyA1 PHE 239 HA -0.03 0.21 0.95 -0.75 4.62 5.00 2bvyA1 PHE 239 HB2 -0.15 0.03 -0.23 -0.04 3.15 2.76 2bvyA1 PHE 239 HB3 0.10 -0.06 -0.03 -0.04 3.06 3.03 2bvyA1 PHE 239 HD2 -0.14 0.03 -0.17 -0.04 7.28 6.96 2bvyA1 PHE 239 HE2 -0.06 -0.02 -0.09 -0.04 7.38 7.17 2bvyA1 PHE 239 HZ -0.03 -0.05 -0.15 -0.04 7.32 7.05 2bvyA1 VAL 240 H 0.08 0.32 -0.04 -0.55 8.24 8.05 2bvyA1 VAL 240 HA 0.34 0.15 0.99 -0.75 4.13 4.86 2bvyA1 VAL 240 HB 0.22 0.02 -0.06 -0.04 2.12 2.25 2bvyA1 VAL 240 HG13 0.39 -0.03 -0.24 -0.04 0.97 1.05 2bvyA1 VAL 240 HG23 -0.16 -0.00 -0.25 -0.04 0.95 0.50 2bvyA1 ASP 241 H 0.32 0.57 0.35 -0.55 8.40 9.10 2bvyA1 ASP 241 HA 0.18 0.26 0.92 -0.75 4.63 5.24 2bvyA1 ASP 241 HB2 0.25 -0.01 0.17 -0.04 2.71 3.07 2bvyA1 ASP 241 HB3 0.18 0.04 0.06 -0.04 2.70 2.94 2bvyA1 VAL 242 H 0.28 0.45 0.36 -0.55 8.24 8.78 2bvyA1 VAL 242 HA 0.19 0.47 1.09 -0.75 4.13 5.12 2bvyA1 VAL 242 HB 0.25 -0.14 -0.03 -0.04 2.12 2.16 2bvyA1 VAL 242 HG13 0.18 -0.01 -0.41 -0.04 0.97 0.69 2bvyA1 VAL 242 HG23 0.23 -0.00 -0.29 -0.04 0.95 0.84 2bvyA1 LEU 243 H 0.18 0.87 0.41 -0.55 8.37 9.29 2bvyA1 LEU 243 HA 0.44 0.14 0.87 -0.75 4.35 5.04 2bvyA1 LEU 243 HB2 0.17 0.01 0.23 -0.04 1.64 2.01 2bvyA1 LEU 243 HB3 0.36 -0.03 0.08 -0.04 1.64 2.02 2bvyA1 LEU 243 HG 0.22 0.07 -0.14 -0.04 1.64 1.75 2bvyA1 LEU 243 HD13 0.11 0.00 -0.14 -0.04 0.93 0.86 2bvyA1 LEU 243 HD23 0.41 -0.01 -0.09 -0.04 0.89 1.16 2bvyA1 GLY 244 H 0.15 0.77 0.38 -0.55 8.43 9.18 2bvyA1 GLY 244 HA2 0.06 0.42 1.00 -0.51 4.01 4.98 2bvyA1 GLY 244 HA3 0.08 -0.13 0.26 -0.51 4.01 3.71 2bvyA1 LEU 245 H 0.14 0.11 0.28 -0.55 8.37 8.35 2bvyA1 LEU 245 HA 0.19 0.19 0.74 -0.75 4.35 4.71 2bvyA1 LEU 245 HB2 -0.02 0.14 -0.29 -0.04 1.64 1.43 2bvyA1 LEU 245 HB3 -0.02 -0.04 0.09 -0.04 1.64 1.63 2bvyA1 LEU 245 HG -0.14 0.01 -0.13 -0.04 1.64 1.34 2bvyA1 LEU 245 HD13 -0.11 -0.02 -0.20 -0.04 0.93 0.55 2bvyA1 LEU 245 HD23 0.22 0.06 0.15 -0.04 0.89 1.29 2bvyA1 ASP 246 H 0.24 0.66 0.12 -0.55 8.40 8.87 2bvyA1 ASP 246 HA 0.28 0.28 0.97 -0.75 4.63 5.41 2bvyA1 ASP 246 HB2 0.26 -0.10 0.03 -0.04 2.71 2.86 2bvyA1 ASP 246 HB3 0.28 -0.01 -0.12 -0.04 2.70 2.82 2bvyA1 THR 247 H 0.27 0.88 0.20 -0.55 8.28 9.08 2bvyA1 THR 247 HA 0.25 0.05 0.77 -0.75 4.39 4.71 2bvyA1 THR 247 HB 0.55 0.07 0.02 -0.04 4.32 4.91 2bvyA1 THR 247 HG23 0.42 -0.02 -0.14 -0.04 1.22 1.44 2bvyA1 TYR 248 H 0.28 0.20 0.15 -0.55 8.29 8.37 2bvyA1 TYR 248 HA 0.13 0.37 0.98 -0.75 4.56 5.29 2bvyA1 TYR 248 HB2 -0.08 -0.04 -0.03 -0.04 3.06 2.87 2bvyA1 TYR 248 HB3 -0.09 -0.05 -0.17 -0.04 2.98 2.62 2bvyA1 TYR 248 HD2 -0.02 0.01 -0.49 -0.04 7.15 6.61 2bvyA1 TYR 248 HE2 -0.27 -0.02 -0.23 -0.04 6.85 6.28 2bvyA1 ASP 249 H -0.09 0.58 0.42 -0.55 8.40 8.76 2bvyA1 ASP 249 HA -0.19 0.13 0.70 -0.75 4.63 4.51 2bvyA1 ASP 249 HB2 -1.03 0.16 -0.06 -0.04 2.71 1.74 2bvyA1 ASP 249 HB3 -0.67 0.09 -0.07 -0.04 2.70 2.01 2bvyA1 SER 250 H -0.18 0.15 0.22 -0.55 8.46 8.11 2bvyA1 SER 250 HA -0.36 0.24 0.92 -0.75 4.49 4.54 2bvyA1 SER 250 HB2 -0.17 0.09 0.16 -0.04 3.95 3.99 2bvyA1 SER 250 HB3 -0.21 0.06 -0.01 -0.04 3.93 3.73 2bvyA1 THR 251 H -0.09 -0.08 0.14 -0.55 8.28 7.70 2bvyA1 THR 251 HA 0.01 0.33 0.91 -0.75 4.39 4.88 2bvyA1 THR 251 HB 0.04 0.08 0.10 -0.04 4.32 4.50 2bvyA1 THR 251 HG23 -0.02 0.02 0.03 -0.04 1.22 1.20 2bvyA1 GLY 252 H 0.16 -0.01 0.04 -0.55 8.43 8.08 2bvyA1 GLY 252 HA2 0.34 0.05 0.24 -0.51 4.01 4.13 2bvyA1 GLY 252 HA3 0.28 0.18 0.38 -0.51 4.01 4.33 2bvyA1 SER 253 H 0.18 -0.13 -0.39 -0.55 8.46 7.58 2bvyA1 SER 253 HA 0.09 0.24 0.37 -0.75 4.49 4.44 2bvyA1 SER 253 HB2 0.08 0.00 0.13 -0.04 3.95 4.12 2bvyA1 SER 253 HB3 0.09 0.15 0.05 -0.04 3.93 4.17 2bvyA1 ASP 254 H 0.05 0.22 0.17 -0.55 8.40 8.29 2bvyA1 ASP 254 HA 0.00 0.17 0.40 -0.75 4.63 4.45 2bvyA1 ASP 254 HB2 0.01 -0.01 0.06 -0.04 2.71 2.73 2bvyA1 ASP 254 HB3 -0.01 0.08 0.05 -0.04 2.70 2.78 2bvyA1 ALA 255 H 0.06 0.05 -0.17 -0.55 8.40 7.79 2bvyA1 ALA 255 HA 0.01 0.17 0.45 -0.75 4.34 4.21 2bvyA1 ALA 255 HB3 0.05 0.02 0.05 -0.04 1.41 1.49 2bvyA1 PHE 256 H 0.20 0.02 -0.25 -0.55 8.34 7.75 2bvyA1 PHE 256 HA 0.03 0.07 0.35 -0.75 4.62 4.31 2bvyA1 PHE 256 HB2 0.07 -0.05 0.09 -0.04 3.15 3.23 2bvyA1 PHE 256 HB3 0.06 0.11 0.07 -0.04 3.06 3.26 2bvyA1 PHE 256 HD2 0.08 0.02 -0.07 -0.04 7.28 7.27 2bvyA1 PHE 256 HE2 0.01 0.05 -0.14 -0.04 7.38 7.27 2bvyA1 PHE 256 HZ 0.29 0.09 -0.15 -0.04 7.32 7.51 2bvyA1 LEU 257 H -0.06 0.54 -0.22 -0.55 8.37 8.09 2bvyA1 LEU 257 HA -0.69 0.01 0.31 -0.75 4.35 3.23 2bvyA1 LEU 257 HB2 -0.11 0.04 0.07 -0.04 1.64 1.60 2bvyA1 LEU 257 HB3 -0.18 0.05 -0.03 -0.04 1.64 1.43 2bvyA1 LEU 257 HG 0.03 0.15 -0.15 -0.04 1.64 1.63 2bvyA1 LEU 257 HD13 -0.05 0.01 -0.13 -0.04 0.93 0.72 2bvyA1 LEU 257 HD23 -0.28 -0.01 -0.14 -0.04 0.89 0.41 2bvyA1 ALA 258 H -0.11 0.51 -0.30 -0.55 8.40 7.95 2bvyA1 ALA 258 HA -0.10 0.06 0.43 -0.75 4.34 3.98 2bvyA1 ALA 258 HB3 -0.05 0.02 0.11 -0.04 1.41 1.46 2bvyA1 GLY 259 H -0.09 0.61 -0.07 -0.55 8.43 8.33 2bvyA1 GLY 259 HA2 -0.05 0.02 0.42 -0.51 4.01 3.90 2bvyA1 GLY 259 HA3 -0.04 0.02 0.33 -0.51 4.01 3.81 2bvyA1 LEU 260 H -0.33 0.65 -0.14 -0.55 8.37 8.01 2bvyA1 LEU 260 HA -0.17 -0.09 0.37 -0.75 4.35 3.71 2bvyA1 LEU 260 HB2 -0.64 -0.05 0.03 -0.04 1.64 0.93 2bvyA1 LEU 260 HB3 -0.49 0.15 0.13 -0.04 1.64 1.38 2bvyA1 LEU 260 HG -0.27 0.07 -0.29 -0.04 1.64 1.12 2bvyA1 LEU 260 HD13 -0.29 -0.03 -0.02 -0.04 0.93 0.54 2bvyA1 LEU 260 HD23 -0.07 0.00 -0.08 -0.04 0.89 0.70 2bvyA1 VAL 261 H -0.21 0.65 -0.09 -0.55 8.24 8.04 2bvyA1 VAL 261 HA -0.16 0.05 0.35 -0.75 4.13 3.62 2bvyA1 VAL 261 HB -0.12 0.07 0.14 -0.04 2.12 2.17 2bvyA1 VAL 261 HG13 -0.09 -0.01 -0.09 -0.04 0.97 0.74 2bvyA1 VAL 261 HG23 -0.14 0.06 -0.03 -0.04 0.95 0.79 2bvyA1 ALA 262 H -0.11 0.51 -0.29 -0.55 8.40 7.97 2bvyA1 ALA 262 HA -0.07 0.05 0.36 -0.75 4.34 3.92 2bvyA1 ALA 262 HB3 -0.05 0.04 -0.01 -0.04 1.41 1.34 2bvyA1 ASP 263 H -0.09 0.57 -0.09 -0.55 8.40 8.24 2bvyA1 ASP 263 HA -0.09 -0.10 0.43 -0.75 4.63 4.11 2bvyA1 ASP 263 HB2 -0.08 0.21 0.23 -0.04 2.71 3.03 2bvyA1 ASP 263 HB3 -0.08 0.07 -0.02 -0.04 2.70 2.63 2bvyA1 LEU 264 H -0.19 0.72 -0.05 -0.55 8.37 8.31 2bvyA1 LEU 264 HA -0.22 0.01 0.39 -0.75 4.35 3.77 2bvyA1 LEU 264 HB2 -0.19 0.02 0.12 -0.04 1.64 1.55 2bvyA1 LEU 264 HB3 -0.17 0.19 0.02 -0.04 1.64 1.63 2bvyA1 LEU 264 HG -0.45 -0.03 -0.03 -0.04 1.64 1.09 2bvyA1 LEU 264 HD13 -0.29 0.01 -0.12 -0.04 0.93 0.49 2bvyA1 LEU 264 HD23 -0.67 -0.00 -0.07 -0.04 0.89 0.11 2bvyA1 ARG 265 H -0.12 0.60 -0.16 -0.55 8.46 8.24 2bvyA1 ARG 265 HA -0.08 0.19 0.38 -0.75 4.34 4.08 2bvyA1 ARG 265 HB2 -0.06 -0.03 -0.01 -0.04 1.90 1.76 2bvyA1 ARG 265 HB3 -0.07 -0.14 0.00 -0.04 1.80 1.55 2bvyA1 ARG 265 HG2 -0.09 0.39 0.21 -0.04 1.67 2.14 2bvyA1 ARG 265 HG3 -0.07 0.02 0.03 -0.04 1.67 1.61 2bvyA1 ARG 265 HD2 -0.07 -0.07 -0.02 -0.04 3.22 3.02 2bvyA1 ARG 265 HD3 -0.06 -0.04 -0.05 -0.04 3.22 3.03 2bvyA1 MET 266 H -0.12 0.42 -0.19 -0.55 8.47 8.03 2bvyA1 MET 266 HA -0.09 0.03 0.39 -0.75 4.52 4.09 2bvyA1 MET 266 HB2 -0.11 0.02 0.12 -0.04 2.15 2.14 2bvyA1 MET 266 HB3 -0.20 0.12 0.20 -0.04 2.03 2.11 2bvyA1 MET 266 HG2 -0.32 0.05 -0.42 -0.04 2.63 1.91 2bvyA1 MET 266 HG3 -0.12 -0.01 -0.10 -0.04 2.56 2.29 2bvyA1 MET 266 HE3 -0.67 0.01 -0.06 -0.04 2.10 1.33 2bvyA1 ILE 267 H -0.23 0.48 -0.14 -0.55 8.25 7.82 2bvyA1 ILE 267 HA -0.18 -0.00 0.37 -0.75 4.18 3.61 2bvyA1 ILE 267 HB -0.07 0.01 -0.00 -0.04 1.89 1.79 2bvyA1 ILE 267 HG12 -0.18 0.07 0.08 -0.04 1.49 1.42 2bvyA1 ILE 267 HG13 -0.10 0.13 -0.21 -0.04 1.21 1.00 2bvyA1 ILE 267 HG23 -0.62 0.03 -0.03 -0.04 0.93 0.27 2bvyA1 ILE 267 HD13 -0.10 -0.03 -0.15 -0.04 0.88 0.56 2bvyA1 ALA 268 H -0.09 0.28 -0.45 -0.55 8.40 7.59 2bvyA1 ALA 268 HA -0.02 0.09 0.50 -0.75 4.34 4.15 2bvyA1 ALA 268 HB3 -0.04 0.03 0.11 -0.04 1.41 1.46 2bvyA1 GLU 269 H -0.06 0.55 -0.14 -0.55 8.60 8.41 2bvyA1 GLU 269 HA -0.02 0.05 0.46 -0.75 4.29 4.02 2bvyA1 GLU 269 HB2 -0.05 0.07 0.21 -0.04 2.09 2.28 2bvyA1 GLU 269 HB3 -0.03 -0.07 0.04 -0.04 1.99 1.89 2bvyA1 GLU 269 HG2 -0.03 -0.04 0.03 -0.04 2.34 2.26 2bvyA1 GLU 269 HG3 -0.05 0.41 0.12 -0.04 2.34 2.78 2bvyA1 ILE 270 H -0.05 0.61 0.03 -0.55 8.25 8.30 2bvyA1 ILE 270 HA -0.02 -0.02 0.36 -0.75 4.18 3.75 2bvyA1 ILE 270 HB 0.00 0.06 0.09 -0.04 1.89 2.00 2bvyA1 ILE 270 HG12 -0.02 -0.05 0.03 -0.04 1.49 1.41 2bvyA1 ILE 270 HG13 -0.05 0.19 0.11 -0.04 1.21 1.42 2bvyA1 ILE 270 HG23 -0.04 -0.01 -0.13 -0.04 0.93 0.71 2bvyA1 ILE 270 HD13 0.03 -0.04 -0.09 -0.04 0.88 0.73 2bvyA1 ALA 271 H 0.00 0.51 -0.42 -0.55 8.40 7.95 2bvyA1 ALA 271 HA 0.05 -0.06 0.28 -0.75 4.34 3.86 2bvyA1 ALA 271 HB3 0.04 0.07 -0.06 -0.04 1.41 1.41 2bvyA1 ASP 272 H 0.00 0.62 0.00 -0.55 8.40 8.48 2bvyA1 ASP 272 HA 0.02 0.07 0.51 -0.75 4.63 4.48 2bvyA1 ASP 272 HB2 -0.00 0.01 0.21 -0.04 2.71 2.89 2bvyA1 ASP 272 HB3 0.00 -0.07 0.07 -0.04 2.70 2.66 2bvyA1 GLU 273 H 0.00 0.62 -0.12 -0.55 8.60 8.55 2bvyA1 GLU 273 HA 0.01 -0.01 0.41 -0.75 4.29 3.95 2bvyA1 GLU 273 HB2 -0.00 0.09 0.11 -0.04 2.09 2.25 2bvyA1 GLU 273 HB3 0.00 -0.09 0.05 -0.04 1.99 1.91 2bvyA1 GLU 273 HG2 -0.00 -0.07 0.03 -0.04 2.34 2.25 2bvyA1 GLU 273 HG3 -0.01 0.51 0.08 -0.04 2.34 2.88 2bvyA1 LYS 274 H 0.02 0.42 -0.24 -0.55 8.42 8.07 2bvyA1 LYS 274 HA 0.03 0.08 0.71 -0.75 4.32 4.39 2bvyA1 LYS 274 HB2 0.04 0.07 0.07 -0.04 1.87 2.00 2bvyA1 LYS 274 HB3 0.06 -0.04 0.09 -0.04 1.79 1.85 2bvyA1 LYS 274 HG2 0.03 -0.04 -0.02 -0.04 1.46 1.39 2bvyA1 LYS 274 HG3 -0.00 0.05 -0.01 -0.04 1.46 1.46 2bvyA1 LYS 274 HD2 -0.07 0.00 -0.09 -0.04 1.69 1.49 2bvyA1 LYS 274 HD3 0.08 -0.02 -0.03 -0.04 1.68 1.67 2bvyA1 LYS 274 HE2 -0.18 -0.08 -0.05 -0.04 2.99 2.64 2bvyA1 LYS 274 HE3 0.06 -0.02 -0.01 -0.04 2.99 2.97 2bvyA1 GLY 275 H 0.03 0.30 -0.28 -0.55 8.43 7.93 2bvyA1 GLY 275 HA2 0.03 0.02 0.39 -0.51 4.01 3.95 2bvyA1 GLY 275 HA3 0.03 -0.03 0.52 -0.51 4.01 4.03 2bvyA1 LYS 276 H 0.05 0.52 0.08 -0.55 8.42 8.53 2bvyA1 LYS 276 HA 0.09 0.22 0.92 -0.75 4.32 4.79 2bvyA1 LYS 276 HB2 0.10 -0.12 -0.04 -0.04 1.87 1.77 2bvyA1 LYS 276 HB3 0.13 0.07 0.14 -0.04 1.79 2.09 2bvyA1 LYS 276 HG2 0.10 0.12 -0.03 -0.04 1.46 1.61 2bvyA1 LYS 276 HG3 0.08 0.02 -0.37 -0.04 1.46 1.16 2bvyA1 LYS 276 HD2 0.15 -0.16 -0.12 -0.04 1.69 1.53 2bvyA1 LYS 276 HD3 0.18 0.04 -0.14 -0.04 1.68 1.71 2bvyA1 LYS 276 HE2 0.12 -0.07 0.03 -0.04 2.99 3.02 2bvyA1 LYS 276 HE3 0.19 -0.21 0.07 -0.04 2.99 3.00 2bvyA1 VAL 277 H 0.12 0.55 0.35 -0.55 8.24 8.71 2bvyA1 VAL 277 HA 0.07 0.24 0.99 -0.75 4.13 4.67 2bvyA1 VAL 277 HB 0.14 -0.02 0.11 -0.04 2.12 2.31 2bvyA1 VAL 277 HG13 0.11 -0.02 -0.17 -0.04 0.97 0.85 2bvyA1 VAL 277 HG23 0.09 0.02 -0.08 -0.04 0.95 0.93 2bvyA1 SER 278 H 0.04 0.29 0.27 -0.55 8.46 8.52 2bvyA1 SER 278 HA 0.07 0.18 1.08 -0.75 4.49 5.06 2bvyA1 SER 278 HB2 -0.01 -0.08 -0.03 -0.04 3.95 3.79 2bvyA1 SER 278 HB3 0.03 0.10 -0.04 -0.04 3.93 3.97 2bvyA1 ALA 279 H -0.02 0.65 0.34 -0.55 8.40 8.82 2bvyA1 ALA 279 HA -0.12 0.03 0.59 -0.75 4.34 4.08 2bvyA1 ALA 279 HB3 -0.67 0.05 -0.17 -0.04 1.41 0.57 2bvyA1 PHE 280 H 0.01 0.53 0.16 -0.55 8.34 8.50 2bvyA1 PHE 280 HA -0.01 0.05 0.61 -0.75 4.62 4.51 2bvyA1 PHE 280 HB2 -0.05 0.06 0.08 -0.04 3.15 3.20 2bvyA1 PHE 280 HB3 -0.02 -0.01 0.31 -0.04 3.06 3.30 2bvyA1 PHE 280 HD2 -0.02 0.13 -0.05 -0.04 7.28 7.30 2bvyA1 PHE 280 HE2 0.04 -0.04 -0.02 -0.04 7.38 7.32 2bvyA1 PHE 280 HZ 0.22 -0.08 -0.00 -0.04 7.32 7.42 2bvyA1 THR 281 H 0.12 0.23 0.05 -0.55 8.28 8.13 2bvyA1 THR 281 HA 0.13 0.04 0.14 -0.75 4.39 3.95 2bvyA1 THR 281 HB 0.18 -0.03 -0.13 -0.04 4.32 4.30 2bvyA1 THR 281 HG23 0.11 0.04 -0.16 -0.04 1.22 1.17 2bvyA1 GLU 282 H 0.29 0.49 -0.04 -0.55 8.60 8.78 2bvyA1 GLU 282 HA 0.11 0.40 0.79 -0.75 4.29 4.83 2bvyA1 GLU 282 HB2 0.19 -0.13 -0.03 -0.04 2.09 2.08 2bvyA1 GLU 282 HB3 0.08 -0.07 -0.11 -0.04 1.99 1.84 2bvyA1 GLU 282 HG2 0.25 0.09 0.00 -0.04 2.34 2.64 2bvyA1 GLU 282 HG3 0.20 0.05 -0.29 -0.04 2.34 2.26 2bvyA1 PHE 283 H -0.25 0.65 0.33 -0.55 8.34 8.52 2bvyA1 PHE 283 HA -0.45 0.42 0.78 -0.75 4.62 4.61 2bvyA1 PHE 283 HB2 -0.56 -0.02 0.11 -0.04 3.15 2.64 2bvyA1 PHE 283 HB3 -1.88 0.04 -0.23 -0.04 3.06 0.94 2bvyA1 PHE 283 HD2 0.05 -0.01 -0.26 -0.04 7.28 7.03 2bvyA1 PHE 283 HE2 0.38 0.05 -0.31 -0.04 7.38 7.45 2bvyA1 PHE 283 HZ 0.43 0.03 -0.09 -0.04 7.32 7.65 2bvyA1 GLY 284 H 0.04 0.36 0.32 -0.55 8.43 8.60 2bvyA1 GLY 284 HA2 -0.22 0.07 0.36 -0.51 4.01 3.71 2bvyA1 GLY 284 HA3 -0.12 0.06 0.59 -0.51 4.01 4.04 2bvyA1 VAL 285 H -0.44 0.17 0.17 -0.55 8.24 7.60 2bvyA1 VAL 285 HA -1.07 0.35 0.76 -0.75 4.13 3.42 2bvyA1 VAL 285 HB -0.48 -0.06 -0.01 -0.04 2.12 1.53 2bvyA1 VAL 285 HG13 -0.48 0.11 0.02 -0.04 0.97 0.58 2bvyA1 VAL 285 HG23 -1.39 -0.01 0.05 -0.04 0.95 -0.43 2bvyA1 SER 286 H -0.27 0.22 -0.12 -0.55 8.46 7.74 2bvyA1 SER 286 HA -0.05 -0.00 0.32 -0.75 4.49 4.01 2bvyA1 SER 286 HB2 -0.16 0.02 -0.08 -0.04 3.95 3.69 2bvyA1 SER 286 HB3 -0.14 0.07 -0.07 -0.04 3.93 3.75 2bvyA1 GLY 287 H -0.12 0.08 0.12 -0.55 8.43 7.96 2bvyA1 GLY 287 HA2 -0.12 -0.03 0.31 -0.51 4.01 3.66 2bvyA1 GLY 287 HA3 -0.16 0.20 0.45 -0.51 4.01 3.99 2bvyA1 GLY 288 H -0.23 0.39 -0.60 -0.55 8.43 7.44 2bvyA1 GLY 288 HA2 -1.24 -0.02 0.29 -0.51 4.01 2.53 2bvyA1 GLY 288 HA3 -0.95 0.03 0.56 -0.51 4.01 3.14 2bvyA1 VAL 289 H -0.67 0.75 0.41 -0.55 8.24 8.18 2bvyA1 VAL 289 HA -0.29 0.36 0.85 -0.75 4.13 4.30 2bvyA1 VAL 289 HB -0.26 0.01 -0.03 -0.04 2.12 1.80 2bvyA1 VAL 289 HG13 -0.16 -0.04 -0.20 -0.04 0.97 0.54 2bvyA1 VAL 289 HG23 -0.05 -0.01 0.04 -0.04 0.95 0.88 2bvyA1 GLY 290 H -0.58 0.04 -0.05 -0.55 8.43 7.29 2bvyA1 GLY 290 HA2 -0.22 0.14 0.65 -0.51 4.01 4.07 2bvyA1 GLY 290 HA3 -0.38 0.10 0.29 -0.51 4.01 3.51 2bvyA1 THR 291 H 0.01 0.44 0.23 -0.55 8.28 8.41 2bvyA1 THR 291 HA -0.04 0.06 0.35 -0.75 4.39 4.01 2bvyA1 THR 291 HB 0.00 -0.15 0.07 -0.04 4.32 4.20 2bvyA1 THR 291 HG23 -0.02 0.01 -0.16 -0.04 1.22 1.01 2bvyA1 ASN 292 H -0.07 0.40 0.03 -0.55 8.53 8.34 2bvyA1 ASN 292 HA -0.07 0.13 0.76 -0.75 4.76 4.83 2bvyA1 ASN 292 HB2 -0.07 0.10 0.03 -0.04 2.88 2.89 2bvyA1 ASN 292 HB3 -0.06 -0.04 0.17 -0.04 2.79 2.82 2bvyA1 ASN 292 HD21 -0.01 -0.06 -0.04 -0.04 7.03 6.88 2bvyA1 ASN 292 HD22 -0.02 0.02 -0.19 -0.04 7.74 7.52 2bvyA1 GLY 293 H -0.15 0.49 -0.59 -0.55 8.43 7.63 2bvyA1 GLY 293 HA2 -0.19 0.08 0.65 -0.51 4.01 4.05 2bvyA1 GLY 293 HA3 -0.26 -0.04 -0.10 -0.51 4.01 3.09 2bvyA1 SER 294 H -0.24 0.62 0.24 -0.55 8.46 8.53 2bvyA1 SER 294 HA -0.12 0.15 0.76 -0.75 4.49 4.54 2bvyA1 SER 294 HB2 -0.21 -0.05 0.06 -0.04 3.95 3.71 2bvyA1 SER 294 HB3 -0.13 -0.08 0.10 -0.04 3.93 3.78 2bvyA1 SER 295 H -0.08 0.15 0.03 -0.55 8.46 8.01 2bvyA1 SER 295 HA -0.09 0.22 0.98 -0.75 4.49 4.84 2bvyA1 SER 295 HB2 -0.03 0.03 0.13 -0.04 3.95 4.04 2bvyA1 SER 295 HB3 -0.00 -0.08 0.09 -0.04 3.93 3.90 2bvyA1 PRO 296 HA 0.03 0.07 0.41 -0.51 4.44 4.44 2bvyA1 PRO 296 HB2 0.22 -0.10 -0.10 -0.04 2.28 2.26 2bvyA1 PRO 296 HB3 0.15 0.09 -0.30 -0.04 2.02 1.92 2bvyA1 PRO 296 HG2 -0.43 -0.07 -0.06 -0.04 2.03 1.43 2bvyA1 PRO 296 HG3 -0.13 0.39 -0.03 -0.04 2.03 2.22 2bvyA1 PRO 296 HD2 -0.31 0.08 0.02 -0.04 3.68 3.42 2bvyA1 PRO 296 HD3 -0.22 0.07 -0.47 -0.04 3.65 3.00 2bvyA1 ALA 297 H 0.07 0.14 0.18 -0.55 8.40 8.24 2bvyA1 ALA 297 HA 0.09 0.02 0.42 -0.75 4.34 4.11 2bvyA1 ALA 297 HB3 0.06 0.03 0.11 -0.04 1.41 1.56 2bvyA1 GLN 298 H 0.13 0.14 0.19 -0.55 8.47 8.39 2bvyA1 GLN 298 HA 0.18 -0.04 0.36 -0.75 4.36 4.10 2bvyA1 GLN 298 HB2 0.08 0.17 -0.05 -0.04 2.15 2.31 2bvyA1 GLN 298 HB3 0.10 -0.03 0.15 -0.04 2.02 2.20 2bvyA1 GLN 298 HG2 0.08 0.02 0.03 -0.04 2.40 2.49 2bvyA1 GLN 298 HG3 0.08 -0.11 -0.16 -0.04 2.39 2.16 2bvyA1 GLN 298 HE21 0.04 0.04 -0.05 -0.04 6.97 6.96 2bvyA1 GLN 298 HE22 0.05 -0.05 -0.12 -0.04 7.69 7.54 2bvyA1 TRP 299 H 0.28 0.38 -0.45 -0.55 7.97 7.63 2bvyA1 TRP 299 HA 0.02 0.09 0.20 -0.75 4.62 4.17 2bvyA1 TRP 299 HB2 -0.11 0.18 -0.06 -0.04 3.23 3.19 2bvyA1 TRP 299 HB3 -0.37 -0.04 0.01 -0.04 3.23 2.78 2bvyA1 TRP 299 HD1 -0.05 -0.02 -0.18 -0.04 7.22 6.93 2bvyA1 TRP 299 HE1 -0.25 -0.23 -0.15 -0.04 10.20 9.53 2bvyA1 TRP 299 HE3 -1.31 0.01 -0.27 -0.04 7.59 5.98 2bvyA1 TRP 299 HZ2 0.04 -0.05 -0.08 -0.04 7.44 7.31 2bvyA1 TRP 299 HZ3 0.12 0.08 -0.12 -0.04 7.13 7.16 2bvyA1 TRP 299 HH2 0.27 -0.04 -0.06 -0.04 7.19 7.33 2bvyA1 PHE 300 H 0.38 0.08 -0.20 -0.55 8.34 8.04 2bvyA1 PHE 300 HA 0.11 0.09 0.41 -0.75 4.62 4.48 2bvyA1 PHE 300 HB2 0.22 -0.04 -0.09 -0.04 3.15 3.20 2bvyA1 PHE 300 HB3 -0.01 0.13 -0.03 -0.04 3.06 3.11 2bvyA1 PHE 300 HD2 0.27 -0.01 -0.02 -0.04 7.28 7.49 2bvyA1 PHE 300 HE2 0.19 -0.00 0.02 -0.04 7.38 7.54 2bvyA1 PHE 300 HZ -0.03 0.19 0.12 -0.04 7.32 7.56 2bvyA1 THR 301 H 0.27 0.06 -0.16 -0.55 8.28 7.90 2bvyA1 THR 301 HA 0.20 0.13 0.45 -0.75 4.39 4.42 2bvyA1 THR 301 HB 0.07 0.05 0.02 -0.04 4.32 4.42 2bvyA1 THR 301 HG23 0.15 0.03 -0.00 -0.04 1.22 1.35 2bvyA1 LYS 302 H 0.03 0.57 -0.16 -0.55 8.42 8.30 2bvyA1 LYS 302 HA -0.03 0.04 0.43 -0.75 4.32 4.01 2bvyA1 LYS 302 HB2 -0.09 0.06 0.08 -0.04 1.87 1.88 2bvyA1 LYS 302 HB3 -0.07 -0.04 -0.05 -0.04 1.79 1.59 2bvyA1 LYS 302 HG2 0.00 -0.04 0.00 -0.04 1.46 1.38 2bvyA1 LYS 302 HG3 0.03 -0.02 0.01 -0.04 1.46 1.43 2bvyA1 LYS 302 HD2 0.05 -0.06 -0.07 -0.04 1.69 1.57 2bvyA1 LYS 302 HD3 0.06 0.09 -0.18 -0.04 1.68 1.62 2bvyA1 LYS 302 HE2 0.03 0.04 0.01 -0.04 2.99 3.03 2bvyA1 LYS 302 HE3 0.03 -0.08 -0.02 -0.04 2.99 2.88 2bvyA1 VAL 303 H -0.27 0.53 -0.17 -0.55 8.24 7.78 2bvyA1 VAL 303 HA -0.23 -0.02 0.37 -0.75 4.13 3.49 2bvyA1 VAL 303 HB -0.40 0.14 0.14 -0.04 2.12 1.96 2bvyA1 VAL 303 HG13 -0.13 -0.01 -0.17 -0.04 0.97 0.62 2bvyA1 VAL 303 HG23 -1.26 0.01 -0.01 -0.04 0.95 -0.35 2bvyA1 LEU 304 H 0.05 0.50 -0.14 -0.55 8.37 8.24 2bvyA1 LEU 304 HA 0.06 0.05 0.36 -0.75 4.35 4.06 2bvyA1 LEU 304 HB2 0.27 0.12 0.17 -0.04 1.64 2.15 2bvyA1 LEU 304 HB3 0.05 0.03 0.03 -0.04 1.64 1.70 2bvyA1 LEU 304 HG 0.05 -0.00 -0.01 -0.04 1.64 1.63 2bvyA1 LEU 304 HD13 -0.17 -0.00 0.01 -0.04 0.93 0.73 2bvyA1 LEU 304 HD23 0.09 -0.00 -0.05 -0.04 0.89 0.89 2bvyA1 ALA 305 H -0.01 0.69 -0.13 -0.55 8.40 8.40 2bvyA1 ALA 305 HA -0.07 0.03 0.32 -0.75 4.34 3.86 2bvyA1 ALA 305 HB3 -0.04 0.01 0.09 -0.04 1.41 1.42 2bvyA1 ALA 306 H -0.09 0.50 -0.22 -0.55 8.40 8.05 2bvyA1 ALA 306 HA -0.09 -0.01 0.34 -0.75 4.34 3.82 2bvyA1 ALA 306 HB3 -0.13 0.00 0.06 -0.04 1.41 1.30 2bvyA1 ILE 307 H -0.09 0.43 -0.32 -0.55 8.25 7.72 2bvyA1 ILE 307 HA -0.10 -0.05 0.36 -0.75 4.18 3.64 2bvyA1 ILE 307 HB -0.03 0.14 0.17 -0.04 1.89 2.13 2bvyA1 ILE 307 HG12 -0.06 -0.05 -0.08 -0.04 1.49 1.26 2bvyA1 ILE 307 HG13 -0.06 0.02 -0.01 -0.04 1.21 1.12 2bvyA1 ILE 307 HG23 0.01 0.02 -0.32 -0.04 0.93 0.61 2bvyA1 ILE 307 HD13 0.12 -0.03 -0.12 -0.04 0.88 0.81 2bvyA1 LYS 308 H -0.18 0.57 0.01 -0.55 8.42 8.27 2bvyA1 LYS 308 HA -0.38 0.15 0.46 -0.75 4.32 3.80 2bvyA1 LYS 308 HB2 -0.61 0.01 0.07 -0.04 1.87 1.30 2bvyA1 LYS 308 HB3 -1.00 -0.00 0.03 -0.04 1.79 0.78 2bvyA1 LYS 308 HG2 -0.20 0.26 -0.01 -0.04 1.46 1.46 2bvyA1 LYS 308 HG3 -0.21 0.00 -0.11 -0.04 1.46 1.10 2bvyA1 LYS 308 HD2 -0.29 0.02 -0.04 -0.04 1.69 1.34 2bvyA1 LYS 308 HD3 -0.23 -0.02 -0.07 -0.04 1.68 1.33 2bvyA1 LYS 308 HE2 -0.07 -0.07 -0.15 -0.04 2.99 2.67 2bvyA1 LYS 308 HE3 -0.10 -0.01 -0.08 -0.04 2.99 2.77 2bvyA1 ALA 309 H -0.14 0.29 -0.57 -0.55 8.40 7.43 2bvyA1 ALA 309 HA -0.11 0.04 0.48 -0.75 4.34 4.00 2bvyA1 ALA 309 HB3 -0.08 -0.01 0.04 -0.04 1.41 1.32 2bvyA1 ASP 310 H -0.11 0.38 -0.32 -0.55 8.40 7.80 2bvyA1 ASP 310 HA -0.07 0.15 0.83 -0.75 4.63 4.79 2bvyA1 ASP 310 HB2 -0.08 0.04 0.07 -0.04 2.71 2.69 2bvyA1 ASP 310 HB3 -0.09 0.07 0.20 -0.04 2.70 2.84 2bvyA1 PRO 311 HA -0.05 0.20 0.40 -0.51 4.44 4.48 2bvyA1 PRO 311 HB2 -0.03 0.04 0.01 -0.04 2.28 2.26 2bvyA1 PRO 311 HB3 -0.04 0.07 0.09 -0.04 2.02 2.10 2bvyA1 PRO 311 HG2 -0.04 -0.06 0.07 -0.04 2.03 1.97 2bvyA1 PRO 311 HG3 -0.03 0.04 0.08 -0.04 2.03 2.07 2bvyA1 PRO 311 HD2 -0.05 0.00 0.27 -0.04 3.68 3.86 2bvyA1 PRO 311 HD3 -0.05 0.28 0.19 -0.04 3.65 4.02 2bvyA1 VAL 312 H -0.05 -0.01 -0.22 -0.55 8.24 7.42 2bvyA1 VAL 312 HA -0.03 0.28 0.79 -0.75 4.13 4.43 2bvyA1 VAL 312 HB -0.05 -0.09 0.08 -0.04 2.12 2.02 2bvyA1 VAL 312 HG13 -0.04 0.01 -0.04 -0.04 0.97 0.86 2bvyA1 VAL 312 HG23 -0.03 0.01 -0.04 -0.04 0.95 0.85 2bvyA1 ALA 313 H -0.06 0.02 -0.06 -0.55 8.40 7.75 2bvyA1 ALA 313 HA -0.08 0.08 0.00 -0.75 4.34 3.59 2bvyA1 ALA 313 HB3 -0.10 0.03 0.07 -0.04 1.41 1.37 2bvyA1 SER 314 H -0.04 0.25 -0.55 -0.55 8.46 7.57 2bvyA1 SER 314 HA 0.05 0.00 0.35 -0.75 4.49 4.14 2bvyA1 SER 314 HB2 0.02 -0.05 -0.01 -0.04 3.95 3.88 2bvyA1 SER 314 HB3 -0.15 0.15 -0.02 -0.04 3.93 3.87 2bvyA1 ARG 315 H 0.00 0.44 -0.60 -0.55 8.46 7.75 2bvyA1 ARG 315 HA 0.05 0.01 0.54 -0.75 4.34 4.18 2bvyA1 ARG 315 HB2 -0.00 0.13 0.20 -0.04 1.90 2.19 2bvyA1 ARG 315 HB3 0.01 -0.02 0.14 -0.04 1.80 1.89 2bvyA1 ARG 315 HG2 0.02 0.09 -0.23 -0.04 1.67 1.51 2bvyA1 ARG 315 HG3 0.02 0.08 -0.02 -0.04 1.67 1.70 2bvyA1 ARG 315 HD2 0.00 -0.01 0.02 -0.04 3.22 3.19 2bvyA1 ARG 315 HD3 -0.01 -0.09 0.08 -0.04 3.22 3.17 2bvyA1 ASN 316 H 0.06 0.58 -0.26 -0.55 8.53 8.37 2bvyA1 ASN 316 HA -0.00 0.20 0.70 -0.75 4.76 4.90 2bvyA1 ASN 316 HB2 0.03 0.07 -0.09 -0.04 2.88 2.85 2bvyA1 ASN 316 HB3 -0.00 -0.24 -0.06 -0.04 2.79 2.44 2bvyA1 ASN 316 HD21 -0.09 0.10 -0.09 -0.04 7.03 6.91 2bvyA1 ASN 316 HD22 -0.05 0.33 -0.11 -0.04 7.74 7.87 2bvyA1 ALA 317 H 0.01 0.56 0.32 -0.55 8.40 8.74 2bvyA1 ALA 317 HA 0.03 0.19 0.46 -0.75 4.34 4.26 2bvyA1 ALA 317 HB3 0.15 0.02 0.09 -0.04 1.41 1.63 2bvyA1 TYR 318 H -0.13 0.05 0.02 -0.55 8.29 7.68 2bvyA1 TYR 318 HA 0.04 0.21 0.61 -0.75 4.56 4.67 2bvyA1 TYR 318 HB2 0.03 0.05 -0.09 -0.04 3.06 3.01 2bvyA1 TYR 318 HB3 0.04 0.10 -0.23 -0.04 2.98 2.84 2bvyA1 TYR 318 HD2 0.06 0.02 -0.40 -0.04 7.15 6.79 2bvyA1 TYR 318 HE2 0.09 0.01 -0.24 -0.04 6.85 6.67 2bvyA1 MET 319 H 0.23 0.75 0.19 -0.55 8.47 9.09 2bvyA1 MET 319 HA 0.13 0.49 0.73 -0.75 4.52 5.12 2bvyA1 MET 319 HB2 -0.59 -0.06 -0.02 -0.04 2.15 1.44 2bvyA1 MET 319 HB3 0.01 0.02 -0.14 -0.04 2.03 1.88 2bvyA1 MET 319 HG2 0.17 0.13 -0.01 -0.04 2.63 2.88 2bvyA1 MET 319 HG3 0.13 -0.09 -0.02 -0.04 2.56 2.54 2bvyA1 MET 319 HE3 -0.96 -0.02 -0.12 -0.04 2.10 0.96 2bvyA1 GLU 320 H 0.26 0.39 -0.00 -0.55 8.60 8.70 2bvyA1 GLU 320 HA -0.07 0.24 1.00 -0.75 4.29 4.71 2bvyA1 GLU 320 HB2 0.16 -0.03 -0.15 -0.04 2.09 2.03 2bvyA1 GLU 320 HB3 0.18 0.21 0.04 -0.04 1.99 2.37 2bvyA1 GLU 320 HG2 -0.10 0.21 -0.35 -0.04 2.34 2.05 2bvyA1 GLU 320 HG3 -0.15 -0.13 -0.41 -0.04 2.34 1.60 2bvyA1 THR 321 H -0.16 0.55 0.36 -0.55 8.28 8.48 2bvyA1 THR 321 HA -0.37 0.38 1.09 -0.75 4.39 4.74 2bvyA1 THR 321 HB -0.67 0.01 0.05 -0.04 4.32 3.67 2bvyA1 THR 321 HG23 0.12 0.05 -0.06 -0.04 1.22 1.29 2bvyA1 TRP 322 H -0.15 0.11 0.15 -0.55 7.97 7.54 2bvyA1 TRP 322 HA -0.27 0.13 0.58 -0.75 4.62 4.30 2bvyA1 TRP 322 HB2 -0.92 0.03 0.06 -0.04 3.23 2.35 2bvyA1 TRP 322 HB3 -1.82 0.05 -0.02 -0.04 3.23 1.39 2bvyA1 TRP 322 HD1 -0.01 0.07 -0.04 -0.04 7.22 7.20 2bvyA1 TRP 322 HE1 0.15 0.02 -0.06 -0.04 10.20 10.27 2bvyA1 TRP 322 HE3 -0.12 0.04 -0.28 -0.04 7.59 7.19 2bvyA1 TRP 322 HZ2 -0.09 -0.04 -0.10 -0.04 7.44 7.17 2bvyA1 TRP 322 HZ3 -0.03 0.10 -0.13 -0.04 7.13 7.04 2bvyA1 TRP 322 HH2 0.04 -0.01 -0.10 -0.04 7.19 7.08 2bvyA1 ALA 323 H -1.51 0.06 0.10 -0.55 8.40 6.51 2bvyA1 ALA 323 HA -0.60 0.30 0.42 -0.75 4.34 3.70 2bvyA1 ALA 323 HB3 -1.35 -0.01 -0.05 -0.04 1.41 -0.04 2bvyA1 ASN 324 H -0.24 0.36 0.08 -0.55 8.53 8.18 2bvyA1 ASN 324 HA 0.09 0.00 0.86 -0.75 4.76 4.95 2bvyA1 ASN 324 HB2 0.11 0.20 0.19 -0.04 2.88 3.33 2bvyA1 ASN 324 HB3 0.03 -0.07 0.09 -0.04 2.79 2.80 2bvyA1 ASN 324 HD21 -0.04 0.38 0.04 -0.04 7.03 7.36 2bvyA1 ASN 324 HD22 -0.03 -0.17 0.04 -0.04 7.74 7.54 2bvyA1 PHE 325 H -0.24 0.32 -0.14 -0.55 8.34 7.73 2bvyA1 PHE 325 HA -0.21 0.04 0.38 -0.75 4.62 4.07 2bvyA1 PHE 325 HB2 -0.01 0.12 0.19 -0.04 3.15 3.40 2bvyA1 PHE 325 HB3 -0.13 -0.01 -0.01 -0.04 3.06 2.87 2bvyA1 PHE 325 HD2 -0.79 0.05 -0.04 -0.04 7.28 6.46 2bvyA1 PHE 325 HE2 -0.28 -0.01 -0.06 -0.04 7.38 6.99 2bvyA1 PHE 325 HZ -0.01 -0.04 -0.06 -0.04 7.32 7.17 2bvyA1 ASP 326 H 0.21 0.45 0.07 -0.55 8.40 8.58 2bvyA1 ASP 326 HA 0.09 0.26 0.58 -0.75 4.63 4.80 2bvyA1 ASP 326 HB2 0.07 -0.12 0.14 -0.04 2.71 2.76 2bvyA1 ASP 326 HB3 0.11 0.19 -0.07 -0.04 2.70 2.89 2bvyA1 ALA 327 H 0.04 0.23 0.10 -0.55 8.40 8.22 2bvyA1 ALA 327 HA -0.00 0.11 0.31 -0.75 4.34 4.00 2bvyA1 ALA 327 HB3 0.02 0.04 0.08 -0.04 1.41 1.51 2bvyA1 GLY 328 H 0.07 0.08 -0.21 -0.55 8.43 7.83 2bvyA1 GLY 328 HA2 0.01 -0.02 0.55 -0.51 4.01 4.04 2bvyA1 GLY 328 HA3 0.02 0.10 0.25 -0.51 4.01 3.87 2bvyA1 GLN 329 H 0.12 0.05 -0.34 -0.55 8.47 7.76 2bvyA1 GLN 329 HA -0.12 0.23 0.91 -0.75 4.36 4.63 2bvyA1 GLN 329 HB2 0.05 0.10 -0.15 -0.04 2.15 2.11 2bvyA1 GLN 329 HB3 0.17 -0.08 0.06 -0.04 2.02 2.12 2bvyA1 GLN 329 HG2 0.48 -0.07 -0.20 -0.04 2.40 2.57 2bvyA1 GLN 329 HG3 0.12 0.06 -0.20 -0.04 2.39 2.33 2bvyA1 GLN 329 HE21 0.24 -0.01 -0.08 -0.04 6.97 7.07 2bvyA1 GLN 329 HE22 0.33 0.00 -0.15 -0.04 7.69 7.83 2bvyA1 HIS 330 H -0.41 0.23 0.12 -0.55 8.41 7.80 2bvyA1 HIS 330 HA 0.01 0.33 0.77 -0.75 4.63 4.98 2bvyA1 HIS 330 HB2 -0.03 -0.05 0.07 -0.04 3.26 3.22 2bvyA1 HIS 330 HB3 -0.01 0.11 -0.16 -0.04 3.20 3.08 2bvyA1 HIS 330 HD2 -0.10 0.31 -0.35 -0.04 6.97 6.79 2bvyA1 HIS 330 HE1 -0.05 0.08 0.03 -0.04 7.75 7.77 2bvyA1 PHE 331 H 0.31 0.27 -0.03 -0.55 8.34 8.34 2bvyA1 PHE 331 HA -0.08 0.05 1.02 -0.75 4.62 4.86 2bvyA1 PHE 331 HB2 0.08 0.45 0.01 -0.04 3.15 3.65 2bvyA1 PHE 331 HB3 0.01 -0.04 0.14 -0.04 3.06 3.13 2bvyA1 PHE 331 HD2 0.06 0.19 -0.11 -0.04 7.28 7.38 2bvyA1 PHE 331 HE2 0.10 0.05 -0.14 -0.04 7.38 7.35 2bvyA1 PHE 331 HZ -0.07 -0.00 -0.18 -0.04 7.32 7.03 2bvyA1 VAL 332 H 0.05 0.05 0.01 -0.55 8.24 7.79 2bvyA1 VAL 332 HA -0.58 0.22 0.82 -0.75 4.13 3.83 2bvyA1 VAL 332 HB -0.34 -0.11 0.09 -0.04 2.12 1.71 2bvyA1 VAL 332 HG13 -0.69 0.04 -0.21 -0.04 0.97 0.07 2bvyA1 VAL 332 HG23 -0.63 0.01 -0.06 -0.04 0.95 0.24 2bvyA1 PRO 333 HA 0.05 0.01 0.31 -0.51 4.44 4.30 2bvyA1 PRO 333 HB2 -0.02 0.05 -0.14 -0.04 2.28 2.14 2bvyA1 PRO 333 HB3 0.04 -0.10 -0.16 -0.04 2.02 1.76 2bvyA1 PRO 333 HG2 0.08 0.08 -0.14 -0.04 2.03 2.01 2bvyA1 PRO 333 HG3 0.09 0.03 -0.07 -0.04 2.03 2.04 2bvyA1 PRO 333 HD2 -1.14 0.14 0.13 -0.04 3.68 2.77 2bvyA1 PRO 333 HD3 -0.48 0.29 0.23 -0.04 3.65 3.65 2bvyA1 VAL 334 H 0.06 0.16 0.14 -0.55 8.24 8.04 2bvyA1 VAL 334 HA -0.03 0.25 0.75 -0.75 4.13 4.35 2bvyA1 VAL 334 HB -0.06 0.08 0.03 -0.04 2.12 2.13 2bvyA1 VAL 334 HG13 -0.10 0.01 -0.20 -0.04 0.97 0.65 2bvyA1 VAL 334 HG23 -0.12 0.01 -0.15 -0.04 0.95 0.65 2bvyA1 PRO 335 HA 0.01 -0.04 0.43 -0.51 4.44 4.33 2bvyA1 PRO 335 HB2 -0.01 0.03 0.11 -0.04 2.28 2.37 2bvyA1 PRO 335 HB3 0.00 0.05 0.07 -0.04 2.02 2.10 2bvyA1 PRO 335 HG2 -0.01 0.09 0.07 -0.04 2.03 2.14 2bvyA1 PRO 335 HG3 -0.00 0.07 0.08 -0.04 2.03 2.14 2bvyA1 PRO 335 HD2 -0.02 0.09 0.14 -0.04 3.68 3.85 2bvyA1 PRO 335 HD3 -0.01 0.17 0.17 -0.04 3.65 3.94 2bvyA1 GLY 336 H 0.02 0.12 0.18 -0.55 8.43 8.20 2bvyA1 GLY 336 HA2 0.01 -0.00 0.35 -0.51 4.01 3.85 2bvyA1 GLY 336 HA3 0.01 0.21 0.87 -0.51 4.01 4.60 2bvyA1 ASP 337 H 0.03 0.64 0.08 -0.55 8.40 8.61 2bvyA1 ASP 337 HA 0.03 0.19 0.77 -0.75 4.63 4.87 2bvyA1 ASP 337 HB2 0.06 -0.07 0.14 -0.04 2.71 2.79 2bvyA1 ASP 337 HB3 0.03 -0.00 0.06 -0.04 2.70 2.75 2bvyA1 ALA 338 H 0.01 0.27 0.18 -0.55 8.40 8.32 2bvyA1 ALA 338 HA 0.03 0.10 0.38 -0.75 4.34 4.10 2bvyA1 ALA 338 HB3 0.02 0.03 0.12 -0.04 1.41 1.54 2bvyA1 LEU 339 H 0.06 0.15 -0.24 -0.55 8.37 7.80 2bvyA1 LEU 339 HA 0.15 0.10 0.64 -0.75 4.35 4.49 2bvyA1 LEU 339 HB2 0.15 0.08 0.07 -0.04 1.64 1.90 2bvyA1 LEU 339 HB3 0.41 -0.05 0.13 -0.04 1.64 2.08 2bvyA1 LEU 339 HG 0.07 0.00 -0.06 -0.04 1.64 1.61 2bvyA1 LEU 339 HD13 -0.04 0.04 0.07 -0.04 0.93 0.96 2bvyA1 LEU 339 HD23 0.21 0.12 0.04 -0.04 0.89 1.23 2bvyA1 LEU 340 H 0.08 0.49 -0.42 -0.55 8.37 7.98 2bvyA1 LEU 340 HA 0.11 0.06 0.26 -0.75 4.35 4.03 2bvyA1 LEU 340 HB2 0.05 0.02 -0.10 -0.04 1.64 1.57 2bvyA1 LEU 340 HB3 0.05 0.01 0.03 -0.04 1.64 1.69 2bvyA1 LEU 340 HG 0.06 0.03 -0.31 -0.04 1.64 1.38 2bvyA1 LEU 340 HD13 0.07 -0.00 -0.23 -0.04 0.93 0.73 2bvyA1 LEU 340 HD23 0.02 -0.01 -0.20 -0.04 0.89 0.67 2bvyA1 GLU 341 H 0.08 0.20 -0.12 -0.55 8.60 8.22 2bvyA1 GLU 341 HA 0.05 0.13 0.36 -0.75 4.29 4.08 2bvyA1 GLU 341 HB2 0.05 0.03 0.13 -0.04 2.09 2.26 2bvyA1 GLU 341 HB3 0.07 -0.03 0.05 -0.04 1.99 2.04 2bvyA1 GLU 341 HG2 0.03 0.01 0.01 -0.04 2.34 2.35 2bvyA1 GLU 341 HG3 0.03 0.04 0.04 -0.04 2.34 2.40 2bvyA1 ASP 342 H 0.14 0.11 -0.20 -0.55 8.40 7.90 2bvyA1 ASP 342 HA 0.13 0.09 0.41 -0.75 4.63 4.50 2bvyA1 ASP 342 HB2 0.18 -0.00 0.17 -0.04 2.71 3.02 2bvyA1 ASP 342 HB3 0.34 0.11 0.12 -0.04 2.70 3.23 2bvyA1 PHE 343 H 0.25 0.57 -0.13 -0.55 8.34 8.48 2bvyA1 PHE 343 HA -0.25 -0.04 0.46 -0.75 4.62 4.03 2bvyA1 PHE 343 HB2 -0.50 -0.08 0.11 -0.04 3.15 2.65 2bvyA1 PHE 343 HB3 -0.16 0.15 0.14 -0.04 3.06 3.15 2bvyA1 PHE 343 HD2 -0.92 0.01 -0.06 -0.04 7.28 6.27 2bvyA1 PHE 343 HE2 -0.47 0.03 -0.06 -0.04 7.38 6.83 2bvyA1 PHE 343 HZ -0.47 -0.00 -0.06 -0.04 7.32 6.75 2bvyA1 GLN 344 H 0.05 0.56 -0.09 -0.55 8.47 8.43 2bvyA1 GLN 344 HA -0.27 0.09 0.48 -0.75 4.36 3.90 2bvyA1 GLN 344 HB2 -0.01 0.05 0.16 -0.04 2.15 2.31 2bvyA1 GLN 344 HB3 -0.07 0.02 0.07 -0.04 2.02 2.00 2bvyA1 GLN 344 HG2 0.00 0.21 0.07 -0.04 2.40 2.64 2bvyA1 GLN 344 HG3 0.09 0.03 0.05 -0.04 2.39 2.52 2bvyA1 GLN 344 HE21 -0.00 -0.12 0.02 -0.04 6.97 6.83 2bvyA1 GLN 344 HE22 -0.00 0.59 0.17 -0.04 7.69 8.40 2bvyA1 ALA 345 H -0.01 0.38 -0.17 -0.55 8.40 8.05 2bvyA1 ALA 345 HA -0.04 0.08 0.48 -0.75 4.34 4.11 2bvyA1 ALA 345 HB3 0.03 0.01 0.11 -0.04 1.41 1.52 2bvyA1 TYR 346 H 0.05 0.42 -0.16 -0.55 8.29 8.05 2bvyA1 TYR 346 HA -0.03 -0.01 0.37 -0.75 4.56 4.13 2bvyA1 TYR 346 HB2 0.09 -0.20 -0.06 -0.04 3.06 2.85 2bvyA1 TYR 346 HB3 -0.26 0.14 0.21 -0.04 2.98 3.03 2bvyA1 TYR 346 HD2 -0.24 0.08 -0.23 -0.04 7.15 6.72 2bvyA1 TYR 346 HE2 -0.17 -0.01 -0.07 -0.04 6.85 6.55 2bvyA1 ALA 347 H -0.28 0.28 -0.36 -0.55 8.40 7.50 2bvyA1 ALA 347 HA -0.11 0.04 0.46 -0.75 4.34 3.97 2bvyA1 ALA 347 HB3 -0.64 -0.00 0.07 -0.04 1.41 0.80 2bvyA1 ALA 348 H -0.18 0.31 -0.18 -0.55 8.40 7.80 2bvyA1 ALA 348 HA -0.16 0.06 0.47 -0.75 4.34 3.96 2bvyA1 ALA 348 HB3 -0.09 -0.03 0.12 -0.04 1.41 1.37 2bvyA1 ASP 349 H -0.12 0.26 -0.33 -0.55 8.40 7.66 2bvyA1 ASP 349 HA -0.04 -0.01 0.40 -0.75 4.63 4.23 2bvyA1 ASP 349 HB2 -0.07 0.00 0.12 -0.04 2.71 2.72 2bvyA1 ASP 349 HB3 -0.14 0.11 0.11 -0.04 2.70 2.74 2bvyA1 PRO 350 HA 0.01 0.14 0.42 -0.51 4.44 4.50 2bvyA1 PRO 350 HB2 0.06 -0.00 0.04 -0.04 2.28 2.34 2bvyA1 PRO 350 HB3 0.03 0.02 0.11 -0.04 2.02 2.14 2bvyA1 PRO 350 HG2 0.01 -0.03 0.10 -0.04 2.03 2.07 2bvyA1 PRO 350 HG3 -0.00 0.08 0.13 -0.04 2.03 2.20 2bvyA1 PRO 350 HD2 0.01 0.01 0.21 -0.04 3.68 3.87 2bvyA1 PRO 350 HD3 -0.01 0.12 0.26 -0.04 3.65 3.97 2bvyA1 PHE 351 H 0.14 -0.03 -0.28 -0.55 8.34 7.62 2bvyA1 PHE 351 HA -0.02 0.21 0.50 -0.75 4.62 4.55 2bvyA1 PHE 351 HB2 -0.04 -0.05 0.06 -0.04 3.15 3.07 2bvyA1 PHE 351 HB3 -0.07 -0.06 -0.04 -0.04 3.06 2.85 2bvyA1 PHE 351 HD2 -0.03 -0.01 -0.06 -0.04 7.28 7.13 2bvyA1 PHE 351 HE2 -0.02 0.13 -0.26 -0.04 7.38 7.19 2bvyA1 PHE 351 HZ -0.02 0.08 -0.22 -0.04 7.32 7.11 2bvyA1 THR 352 H -0.02 0.30 -0.25 -0.55 8.28 7.77 2bvyA1 THR 352 HA -0.10 0.17 0.82 -0.75 4.39 4.53 2bvyA1 THR 352 HB -0.08 -0.11 0.00 -0.04 4.32 4.09 2bvyA1 THR 352 HG23 -0.65 -0.06 -0.03 -0.04 1.22 0.44 2bvyA1 LEU 353 H -0.05 0.65 0.31 -0.55 8.37 8.73 2bvyA1 LEU 353 HA 0.15 0.21 0.93 -0.75 4.35 4.89 2bvyA1 LEU 353 HB2 0.00 -0.13 -0.10 -0.04 1.64 1.37 2bvyA1 LEU 353 HB3 0.06 0.05 -0.11 -0.04 1.64 1.60 2bvyA1 LEU 353 HG -0.14 0.04 -0.24 -0.04 1.64 1.26 2bvyA1 LEU 353 HD13 -0.06 0.01 -0.18 -0.04 0.93 0.66 2bvyA1 LEU 353 HD23 -0.01 0.06 -0.18 -0.04 0.89 0.71 2bvyA1 PHE 354 H 0.35 0.19 0.14 -0.55 8.34 8.47 2bvyA1 PHE 354 HA 0.18 0.00 0.88 -0.75 4.62 4.92 2bvyA1 PHE 354 HB2 0.07 0.02 0.00 -0.04 3.15 3.20 2bvyA1 PHE 354 HB3 0.14 0.16 0.02 -0.04 3.06 3.33 2bvyA1 PHE 354 HD2 0.09 0.09 -0.40 -0.04 7.28 7.01 2bvyA1 PHE 354 HE2 -0.07 0.03 -0.12 -0.04 7.38 7.18 2bvyA1 PHE 354 HZ -0.44 -0.07 -0.07 -0.04 7.32 6.69 2bvyA1 ALA 355 H 0.36 0.59 -0.20 -0.55 8.40 8.61 2bvyA1 ALA 355 HA 0.18 0.13 0.27 -0.75 4.34 4.16 2bvyA1 ALA 355 HB3 0.31 0.03 -0.13 -0.04 1.41 1.58 2bvyA1 SER 356 H 0.20 0.02 -0.15 -0.55 8.46 7.98 2bvyA1 SER 356 HA 0.08 0.16 0.41 -0.75 4.49 4.39 2bvyA1 SER 356 HB2 0.07 0.01 0.09 -0.04 3.95 4.08 2bvyA1 SER 356 HB3 0.11 -0.03 0.11 -0.04 3.93 4.08 2bvyA1 GLU 357 H 0.14 0.33 -0.39 -0.55 8.60 8.13 2bvyA1 GLU 357 HA 0.06 0.11 0.64 -0.75 4.29 4.34 2bvyA1 GLU 357 HB2 0.12 -0.02 0.08 -0.04 2.09 2.23 2bvyA1 GLU 357 HB3 0.07 0.02 0.14 -0.04 1.99 2.18 2bvyA1 GLU 357 HG2 0.06 0.02 -0.02 -0.04 2.34 2.36 2bvyA1 GLU 357 HG3 0.09 -0.13 -0.13 -0.04 2.34 2.13 2bvyA1 VAL 358 H 0.07 0.53 -0.36 -0.55 8.24 7.93 2bvyA1 VAL 358 HA 0.08 0.10 0.84 -0.75 4.13 4.40 2bvyA1 VAL 358 HB 0.03 0.26 0.22 -0.04 2.12 2.59 2bvyA1 VAL 358 HG13 -0.18 -0.05 -0.16 -0.04 0.97 0.54 2bvyA1 VAL 358 HG23 0.11 -0.01 -0.19 -0.04 0.95 0.82 2bvyA1 THR 359 H -0.05 0.30 0.06 -0.55 8.28 8.05 2bvyA1 THR 359 HA -0.13 0.15 0.86 -0.75 4.39 4.51 2bvyA1 THR 359 HB -0.04 -0.07 -0.01 -0.04 4.32 4.16 2bvyA1 THR 359 HG23 -0.01 0.02 -0.23 -0.04 1.22 0.96 2bvyA1 GLY 360 H -0.14 0.17 0.13 -0.55 8.43 8.05 2bvyA1 GLY 360 HA2 -0.09 -0.02 0.31 -0.51 4.01 3.70 2bvyA1 GLY 360 HA3 -0.08 0.18 0.46 -0.51 4.01 4.05 2bvyA1 ALA 361 H -0.55 0.12 -0.24 -0.55 8.40 7.19 2bvyA1 ALA 361 HA -0.83 0.17 0.35 -0.75 4.34 3.28 2bvyA1 ALA 361 HB3 -1.14 0.03 -0.07 -0.04 1.41 0.18 2bvyA1 PHE 362 H -0.32 0.02 -0.21 -0.55 8.34 7.28 2bvyA1 PHE 362 HA -0.03 0.29 0.88 -0.75 4.62 5.00 2bvyA1 PHE 362 HB2 -0.05 -0.00 0.01 -0.04 3.15 3.07 2bvyA1 PHE 362 HB3 -0.03 -0.05 0.19 -0.04 3.06 3.13 2bvyA1 PHE 362 HD2 -0.04 0.11 -0.05 -0.04 7.28 7.26 2bvyA1 PHE 362 HE2 -0.04 0.05 -0.07 -0.04 7.38 7.28 2bvyA1 PHE 362 HZ -0.04 0.02 -0.02 -0.04 7.32 7.24 2bvyA1 ASP 363 H -0.03 0.24 -0.46 -0.55 8.40 7.60 2bvyA1 ASP 363 HA 0.05 0.22 0.84 -0.75 4.63 4.99 2bvyA1 ASP 363 HB2 -0.01 0.07 0.02 -0.04 2.71 2.76 2bvyA1 ASP 363 HB3 0.01 0.01 0.10 -0.04 2.70 2.78 2bvyA1 ARG 364 H 0.04 0.10 -0.20 -0.55 8.46 7.84 2bvyA1 ARG 364 HA 0.03 0.08 0.51 -0.75 4.34 4.21 2bvyA1 ARG 364 HB2 0.06 0.01 0.01 -0.04 1.90 1.94 2bvyA1 ARG 364 HB3 0.05 0.01 -0.03 -0.04 1.80 1.78 2bvyA1 ARG 364 HG2 0.06 -0.00 -0.02 -0.04 1.67 1.66 2bvyA1 ARG 364 HG3 0.04 -0.04 -0.05 -0.04 1.67 1.57 2bvyA1 ARG 364 HD2 0.12 0.10 0.02 -0.04 3.22 3.42 2bvyA1 ARG 364 HD3 0.09 0.07 0.02 -0.04 3.22 3.36 2bvyA1 THR 365 H 0.03 0.16 0.06 -0.55 8.28 7.98 2bvyA1 THR 365 HA 0.03 0.19 0.89 -0.75 4.39 4.75 2bvyA1 THR 365 HB 0.02 -0.03 0.19 -0.04 4.32 4.46 2bvyA1 THR 365 HG23 0.02 -0.01 -0.09 -0.04 1.22 1.10 2bvyA1 VAL 366 H 0.04 0.27 -0.04 -0.55 8.24 7.96 2bvyA1 VAL 366 HA 0.03 0.21 0.93 -0.75 4.13 4.54 2bvyA1 VAL 366 HB 0.04 0.09 -0.06 -0.04 2.12 2.15 2bvyA1 VAL 366 HG13 0.05 -0.01 -0.23 -0.04 0.97 0.73 2bvyA1 VAL 366 HG23 0.06 0.03 -0.29 -0.04 0.95 0.70 2bvyA1 ALA 367 H 0.03 0.23 0.15 -0.55 8.40 8.26 2bvyA1 ALA 367 HA 0.02 0.12 0.77 -0.75 4.34 4.50 2bvyA1 ALA 367 HB3 0.02 0.02 0.04 -0.04 1.41 1.44 2bvyA1 ALA 368 H 0.02 0.14 0.18 -0.55 8.40 8.20 2bvyA1 ALA 368 HA 0.03 0.14 0.77 -0.75 4.34 4.53 2bvyA1 ALA 368 HB3 0.03 0.01 0.18 -0.04 1.41 1.59 2bvyA1 ALA 369 H 0.03 0.65 0.28 -0.55 8.40 8.81 2bvyA1 ALA 369 HA 0.01 0.02 0.38 -0.75 4.34 4.00 2bvyA1 ALA 369 HB3 0.02 -0.02 -0.07 -0.04 1.41 1.29 2bvyA1 PRO 370 HA 0.00 -0.00 0.46 -0.51 4.44 4.39 2bvyA1 PRO 370 HB2 -0.00 0.10 0.01 -0.04 2.28 2.35 2bvyA1 PRO 370 HB3 0.00 -0.02 0.12 -0.04 2.02 2.08 2bvyA1 PRO 370 HG2 0.00 0.04 0.03 -0.04 2.03 2.05 2bvyA1 PRO 370 HG3 0.00 -0.01 0.06 -0.04 2.03 2.04 2bvyA1 PRO 370 HD2 0.01 0.06 0.18 -0.04 3.68 3.88 2bvyA1 PRO 370 HD3 0.01 0.11 0.18 -0.04 3.65 3.90 2bvyA1 ALA 371 H -0.01 0.01 0.17 -0.55 8.40 8.03 2bvyA1 ALA 371 HA -0.02 0.09 0.43 -0.75 4.34 4.08 2bvyA1 ALA 371 HB3 -0.02 -0.02 0.12 -0.04 1.41 1.45 2bvyA1 GLN 372 H -0.05 0.09 0.15 -0.55 8.47 8.11 2bvyA1 GLN 372 HA -0.02 0.16 0.60 -0.75 4.36 4.34 2bvyA1 GLN 372 HB2 -0.03 0.04 0.02 -0.04 2.15 2.15 2bvyA1 GLN 372 HB3 -0.03 0.04 0.06 -0.04 2.02 2.05 2bvyA1 GLN 372 HG2 -0.09 -0.01 0.07 -0.04 2.40 2.34 2bvyA1 GLN 372 HG3 -0.09 -0.02 -0.15 -0.04 2.39 2.09 2bvyA1 GLN 372 HE21 -0.03 -0.05 -0.36 -0.04 6.97 6.49 2bvyA1 GLN 372 HE22 -0.06 0.08 -0.20 -0.04 7.69 7.47 2bvyA1 PRO 373 HA -0.01 0.28 0.57 -0.51 4.44 4.78 2bvyA1 PRO 373 HB2 -0.01 -0.03 0.03 -0.04 2.28 2.22 2bvyA1 PRO 373 HB3 -0.01 -0.06 -0.05 -0.04 2.02 1.86 2bvyA1 PRO 373 HG2 -0.01 -0.03 0.07 -0.04 2.03 2.02 2bvyA1 PRO 373 HG3 -0.01 0.21 0.02 -0.04 2.03 2.20 2bvyA1 PRO 373 HD2 -0.01 0.04 0.21 -0.04 3.68 3.87 2bvyA1 PRO 373 HD3 -0.01 0.25 0.29 -0.04 3.65 4.13 2bvyA1 VAL 374 H 0.02 0.51 0.33 -0.55 8.24 8.55 2bvyA1 VAL 374 HA 0.04 0.16 0.77 -0.75 4.13 4.34 2bvyA1 VAL 374 HB 0.18 -0.03 -0.05 -0.04 2.12 2.17 2bvyA1 VAL 374 HG13 -0.08 0.04 -0.29 -0.04 0.97 0.59 2bvyA1 VAL 374 HG23 0.07 -0.00 -0.12 -0.04 0.95 0.86 2bvyA1 VAL 375 H 0.11 0.32 0.14 -0.55 8.24 8.25 2bvyA1 VAL 375 HA 0.06 0.46 0.96 -0.75 4.13 4.85 2bvyA1 VAL 375 HB -0.01 -0.00 -0.16 -0.04 2.12 1.90 2bvyA1 VAL 375 HG13 0.01 -0.02 -0.23 -0.04 0.97 0.68 2bvyA1 VAL 375 HG23 -0.04 -0.00 -0.23 -0.04 0.95 0.64 2bvyA1 HIS 376 H -0.09 0.55 0.29 -0.55 8.41 8.62 2bvyA1 HIS 376 HA 0.03 0.10 0.54 -0.75 4.63 4.54 2bvyA1 HIS 376 HB2 0.02 0.02 0.00 -0.04 3.26 3.26 2bvyA1 HIS 376 HB3 0.08 0.12 -0.12 -0.04 3.20 3.23 2bvyA1 HIS 376 HD2 0.28 -0.01 -0.29 -0.04 6.97 6.91 2bvyA1 HIS 376 HE1 0.19 -0.01 -0.16 -0.04 7.75 7.72 2bvyA1 ILE 377 H 0.07 0.19 0.04 -0.55 8.25 8.00 2bvyA1 ILE 377 HA -0.06 0.14 0.89 -0.75 4.18 4.40 2bvyA1 ILE 377 HB -0.03 -0.01 0.05 -0.04 1.89 1.86 2bvyA1 ILE 377 HG12 -0.07 0.02 -0.19 -0.04 1.49 1.21 2bvyA1 ILE 377 HG13 -0.03 -0.12 -0.22 -0.04 1.21 0.80 2bvyA1 ILE 377 HG23 -0.10 0.00 -0.37 -0.04 0.93 0.42 2bvyA1 ILE 377 HD13 -0.07 -0.02 -0.13 -0.04 0.88 0.61 2bvyA1 ALA 378 H -0.13 0.37 0.20 -0.55 8.40 8.29 2bvyA1 ALA 378 HA 0.04 0.04 0.42 -0.75 4.34 4.09 2bvyA1 ALA 378 HB3 -0.25 -0.01 -0.01 -0.04 1.41 1.10 2bvyA1 SER 379 H -0.21 0.30 -0.12 -0.55 8.46 7.89 2bvyA1 SER 379 HA -0.10 -0.09 0.35 -0.75 4.49 3.90 2bvyA1 SER 379 HB2 -0.13 0.02 0.06 -0.04 3.95 3.86 2bvyA1 SER 379 HB3 -0.25 0.18 -0.11 -0.04 3.93 3.70 2bvyA1 PRO 380 HA -0.02 0.03 0.32 -0.51 4.44 4.26 2bvyA1 PRO 380 HB2 0.05 0.08 -0.19 -0.04 2.28 2.17 2bvyA1 PRO 380 HB3 0.14 0.04 -0.06 -0.04 2.02 2.10 2bvyA1 PRO 380 HG2 -0.04 -0.00 -0.08 -0.04 2.03 1.88 2bvyA1 PRO 380 HG3 0.15 0.06 -0.11 -0.04 2.03 2.10 2bvyA1 PRO 380 HD2 -0.15 0.06 0.22 -0.04 3.68 3.77 2bvyA1 PRO 380 HD3 0.09 0.11 0.02 -0.04 3.65 3.82 2bvyA1 ALA 381 H -0.04 0.11 0.03 -0.55 8.40 7.96 2bvyA1 ALA 381 HA -0.02 0.22 0.35 -0.75 4.34 4.13 2bvyA1 ALA 381 HB3 -0.02 0.04 -0.07 -0.04 1.41 1.31 2bvyA1 ASP 382 H -0.01 0.16 0.12 -0.55 8.40 8.12 2bvyA1 ASP 382 HA -0.02 0.06 0.35 -0.75 4.63 4.27 2bvyA1 ASP 382 HB2 -0.01 0.06 0.24 -0.04 2.71 2.96 2bvyA1 ASP 382 HB3 -0.00 -0.05 0.19 -0.04 2.70 2.79 2bvyA1 GLY 383 H -0.03 0.90 0.39 -0.55 8.43 9.15 2bvyA1 GLY 383 HA2 -0.02 0.07 0.46 -0.51 4.01 4.00 2bvyA1 GLY 383 HA3 -0.00 -0.09 0.60 -0.51 4.01 4.00 2bvyA1 ALA 384 H -0.02 0.55 -0.40 -0.55 8.40 7.99 2bvyA1 ALA 384 HA -0.00 -0.00 0.51 -0.75 4.34 4.09 2bvyA1 ALA 384 HB3 -0.00 0.01 -0.01 -0.04 1.41 1.36 2bvyA1 ARG 385 H -0.01 0.10 0.16 -0.55 8.46 8.15 2bvyA1 ARG 385 HA -0.04 0.31 0.82 -0.75 4.34 4.68 2bvyA1 ARG 385 HB2 -0.01 0.01 -0.01 -0.04 1.90 1.85 2bvyA1 ARG 385 HB3 -0.01 -0.09 0.14 -0.04 1.80 1.80 2bvyA1 ARG 385 HG2 -0.01 -0.05 -0.50 -0.04 1.67 1.06 2bvyA1 ARG 385 HG3 -0.02 0.13 -0.38 -0.04 1.67 1.36 2bvyA1 ARG 385 HD2 -0.00 0.03 -0.08 -0.04 3.22 3.12 2bvyA1 ARG 385 HD3 -0.00 -0.07 -0.04 -0.04 3.22 3.06 2bvyA1 VAL 386 H -0.02 0.99 0.32 -0.55 8.24 8.98 2bvyA1 VAL 386 HA -0.01 0.08 0.89 -0.75 4.13 4.34 2bvyA1 VAL 386 HB 0.04 -0.00 -0.01 -0.04 2.12 2.11 2bvyA1 VAL 386 HG13 -0.14 0.04 -0.20 -0.04 0.97 0.63 2bvyA1 VAL 386 HG23 0.15 -0.01 -0.23 -0.04 0.95 0.82 2bvyA1 ALA 387 H -0.06 0.13 0.13 -0.55 8.40 8.05 2bvyA1 ALA 387 HA -0.05 0.07 0.61 -0.75 4.34 4.21 2bvyA1 ALA 387 HB3 -0.05 -0.00 0.10 -0.04 1.41 1.42 2bvyA1 SER 388 H -0.07 0.09 0.17 -0.55 8.46 8.10 2bvyA1 SER 388 HA -0.15 0.16 0.41 -0.75 4.49 4.16 2bvyA1 SER 388 HB2 -0.08 0.06 0.06 -0.04 3.95 3.96 2bvyA1 SER 388 HB3 -0.06 0.00 0.13 -0.04 3.93 3.96 2bvyA1 ALA 389 H -0.09 -0.13 -0.30 -0.55 8.40 7.33 2bvyA1 ALA 389 HA -0.09 0.03 0.30 -0.75 4.34 3.82 2bvyA1 ALA 389 HB3 -0.07 -0.01 0.03 -0.04 1.41 1.32 2bvyA1 PRO 390 HA -0.15 0.16 0.64 -0.51 4.44 4.58 2bvyA1 PRO 390 HB2 -0.05 -0.04 0.08 -0.04 2.28 2.24 2bvyA1 PRO 390 HB3 -0.05 0.01 0.07 -0.04 2.02 2.00 2bvyA1 PRO 390 HG2 -0.05 -0.02 0.08 -0.04 2.03 2.00 2bvyA1 PRO 390 HG3 -0.07 0.07 0.07 -0.04 2.03 2.06 2bvyA1 PRO 390 HD2 -0.06 0.05 0.21 -0.04 3.68 3.84 2bvyA1 PRO 390 HD3 -0.07 0.07 0.20 -0.04 3.65 3.81 2bvyA1 THR 391 H -0.09 0.74 0.43 -0.55 8.28 8.80 2bvyA1 THR 391 HA -0.02 0.16 0.88 -0.75 4.39 4.65 2bvyA1 THR 391 HB 0.15 -0.01 -0.15 -0.04 4.32 4.27 2bvyA1 THR 391 HG23 -0.00 -0.06 0.04 -0.04 1.22 1.16 2bvyA1 THR 392 H 0.01 0.25 0.12 -0.55 8.28 8.11 2bvyA1 THR 392 HA 0.08 0.17 0.95 -0.75 4.39 4.84 2bvyA1 THR 392 HB -0.07 -0.02 -0.04 -0.04 4.32 4.15 2bvyA1 THR 392 HG23 -0.00 0.01 -0.24 -0.04 1.22 0.94 2bvyA1 VAL 393 H 0.07 0.61 0.19 -0.55 8.24 8.55 2bvyA1 VAL 393 HA -0.05 0.43 0.78 -0.75 4.13 4.54 2bvyA1 VAL 393 HB -0.06 -0.02 0.06 -0.04 2.12 2.06 2bvyA1 VAL 393 HG13 -0.16 0.00 -0.21 -0.04 0.97 0.56 2bvyA1 VAL 393 HG23 -0.18 -0.00 -0.14 -0.04 0.95 0.58 2bvyA1 ARG 394 H -0.21 0.43 0.23 -0.55 8.46 8.36 2bvyA1 ARG 394 HA -0.04 0.36 1.03 -0.75 4.34 4.94 2bvyA1 ARG 394 HB2 -1.07 -0.06 -0.14 -0.04 1.90 0.59 2bvyA1 ARG 394 HB3 -0.32 -0.01 -0.12 -0.04 1.80 1.30 2bvyA1 ARG 394 HG2 -0.39 0.11 -0.25 -0.04 1.67 1.10 2bvyA1 ARG 394 HG3 -0.76 -0.07 -0.09 -0.04 1.67 0.71 2bvyA1 ARG 394 HD2 -1.83 -0.04 -0.16 -0.04 3.22 1.14 2bvyA1 ARG 394 HD3 -0.72 -0.03 -0.18 -0.04 3.22 2.25 2bvyA1 VAL 395 H 0.16 0.68 0.31 -0.55 8.24 8.84 2bvyA1 VAL 395 HA -0.02 0.16 1.09 -0.75 4.13 4.60 2bvyA1 VAL 395 HB 0.11 -0.02 0.01 -0.04 2.12 2.18 2bvyA1 VAL 395 HG13 -0.03 0.00 -0.30 -0.04 0.97 0.60 2bvyA1 VAL 395 HG23 -0.03 0.00 -0.30 -0.04 0.95 0.58 2bvyA1 ARG 396 H -0.11 0.78 0.36 -0.55 8.46 8.94 2bvyA1 ARG 396 HA 0.32 0.20 0.96 -0.75 4.34 5.06 2bvyA1 ARG 396 HB2 -0.06 -0.05 -0.00 -0.04 1.90 1.75 2bvyA1 ARG 396 HB3 -0.47 -0.03 -0.00 -0.04 1.80 1.25 2bvyA1 ARG 396 HG2 0.22 0.06 -0.08 -0.04 1.67 1.83 2bvyA1 ARG 396 HG3 0.28 -0.03 -0.11 -0.04 1.67 1.77 2bvyA1 ARG 396 HD2 0.23 -0.03 -0.17 -0.04 3.22 3.21 2bvyA1 ARG 396 HD3 0.15 0.01 -0.33 -0.04 3.22 3.00 2bvyA1 VAL 397 H 0.21 0.31 0.13 -0.55 8.24 8.34 2bvyA1 VAL 397 HA 0.04 0.36 1.05 -0.75 4.13 4.82 2bvyA1 VAL 397 HB 0.03 -0.03 0.09 -0.04 2.12 2.16 2bvyA1 VAL 397 HG13 -0.06 0.01 -0.16 -0.04 0.97 0.72 2bvyA1 VAL 397 HG23 -0.16 -0.02 -0.28 -0.04 0.95 0.45 2bvyA1 GLY 398 H 0.08 0.58 0.26 -0.55 8.43 8.80 2bvyA1 GLY 398 HA2 0.05 0.19 1.01 -0.51 4.01 4.74 2bvyA1 GLY 398 HA3 0.06 0.05 0.31 -0.51 4.01 3.91 2bvyA1 GLY 399 H 0.01 0.16 0.13 -0.55 8.43 8.18 2bvyA1 GLY 399 HA2 -0.01 0.01 0.24 -0.51 4.01 3.74 2bvyA1 GLY 399 HA3 -0.01 0.22 0.20 -0.51 4.01 3.91 2bvyA1 THR 400 H 0.00 0.18 -0.35 -0.55 8.28 7.56 2bvyA1 THR 400 HA -0.01 0.10 0.46 -0.75 4.39 4.19 2bvyA1 THR 400 HB -0.01 0.24 -0.26 -0.04 4.32 4.24 2bvyA1 THR 400 HG23 -0.02 0.02 -0.36 -0.04 1.22 0.82 2bvyA1 ASP 401 H -0.01 0.12 0.13 -0.55 8.40 8.10 2bvyA1 ASP 401 HA 0.00 0.12 0.57 -0.75 4.63 4.57 2bvyA1 ASP 401 HB2 -0.00 -0.08 0.18 -0.04 2.71 2.77 2bvyA1 ASP 401 HB3 0.01 0.08 -0.01 -0.04 2.70 2.74 2bvyA1 VAL 402 H 0.05 0.20 0.20 -0.55 8.24 8.14 2bvyA1 VAL 402 HA -0.07 0.17 0.92 -0.75 4.13 4.39 2bvyA1 VAL 402 HB 0.20 -0.01 0.00 -0.04 2.12 2.27 2bvyA1 VAL 402 HG13 -0.66 -0.03 -0.21 -0.04 0.97 0.04 2bvyA1 VAL 402 HG23 -0.04 0.03 -0.12 -0.04 0.95 0.78 2bvyA1 GLN 403 H -0.10 0.65 0.39 -0.55 8.47 8.86 2bvyA1 GLN 403 HA 0.11 0.16 0.91 -0.75 4.36 4.79 2bvyA1 GLN 403 HB2 0.01 -0.03 0.00 -0.04 2.15 2.09 2bvyA1 GLN 403 HB3 -0.03 0.07 0.12 -0.04 2.02 2.14 2bvyA1 GLN 403 HG2 0.02 -0.01 -0.12 -0.04 2.40 2.24 2bvyA1 GLN 403 HG3 0.06 -0.00 0.11 -0.04 2.39 2.52 2bvyA1 GLN 403 HE21 0.02 -0.02 -0.01 -0.04 6.97 6.92 2bvyA1 GLN 403 HE22 0.04 0.01 0.01 -0.04 7.69 7.70 2bvyA1 SER 404 H -0.27 0.26 0.28 -0.55 8.46 8.18 2bvyA1 SER 404 HA -0.27 0.14 0.56 -0.75 4.49 4.17 2bvyA1 SER 404 HB2 -0.05 0.04 0.08 -0.04 3.95 3.97 2bvyA1 SER 404 HB3 -0.01 0.13 -0.18 -0.04 3.93 3.83 2bvyA1 VAL 405 H -0.27 0.34 0.19 -0.55 8.24 7.95 2bvyA1 VAL 405 HA -0.31 0.35 1.07 -0.75 4.13 4.48 2bvyA1 VAL 405 HB -0.23 -0.06 -0.05 -0.04 2.12 1.74 2bvyA1 VAL 405 HG13 -0.16 0.00 -0.25 -0.04 0.97 0.52 2bvyA1 VAL 405 HG23 -1.38 -0.01 -0.30 -0.04 0.95 -0.79 2bvyA1 THR 406 H -0.12 0.71 0.40 -0.55 8.28 8.72 2bvyA1 THR 406 HA -0.04 0.23 1.11 -0.75 4.39 4.94 2bvyA1 THR 406 HB -0.06 -0.04 0.08 -0.04 4.32 4.26 2bvyA1 THR 406 HG23 -0.04 0.03 -0.06 -0.04 1.22 1.12 2bvyA1 VAL 407 H -0.06 0.64 0.36 -0.55 8.24 8.64 2bvyA1 VAL 407 HA -0.10 0.45 1.17 -0.75 4.13 4.90 2bvyA1 VAL 407 HB -0.15 -0.05 0.01 -0.04 2.12 1.89 2bvyA1 VAL 407 HG13 -0.26 -0.00 -0.31 -0.04 0.97 0.35 2bvyA1 VAL 407 HG23 -0.10 -0.02 -0.34 -0.04 0.95 0.45 2bvyA1 GLU 408 H -0.10 0.60 0.33 -0.55 8.60 8.88 2bvyA1 GLU 408 HA -0.07 0.27 1.10 -0.75 4.29 4.83 2bvyA1 GLU 408 HB2 -0.05 -0.07 0.16 -0.04 2.09 2.10 2bvyA1 GLU 408 HB3 -0.03 0.05 0.02 -0.04 1.99 1.98 2bvyA1 GLU 408 HG2 -0.04 0.07 -0.05 -0.04 2.34 2.28 2bvyA1 GLU 408 HG3 -0.05 -0.05 -0.21 -0.04 2.34 1.99 2bvyA1 VAL 409 H -0.08 0.36 0.05 -0.55 8.24 8.02 2bvyA1 VAL 409 HA -0.10 0.41 1.01 -0.75 4.13 4.69 2bvyA1 VAL 409 HB 0.06 -0.10 0.12 -0.04 2.12 2.16 2bvyA1 VAL 409 HG13 0.17 0.03 -0.07 -0.04 0.97 1.06 2bvyA1 VAL 409 HG23 -0.46 -0.01 -0.15 -0.04 0.95 0.28 2bvyA1 ALA 410 H -0.01 0.38 0.25 -0.55 8.40 8.48 2bvyA1 ALA 410 HA 0.02 0.06 0.92 -0.75 4.34 4.58 2bvyA1 ALA 410 HB3 0.01 -0.02 0.09 -0.04 1.41 1.44 2bvyA1 GLN 411 H 0.02 0.16 0.83 -0.55 8.47 8.93 2bvyA1 GLN 411 HA 0.03 0.06 0.30 -0.75 4.36 4.00 2bvyA1 GLN 411 HB2 0.09 0.38 0.11 -0.04 2.15 2.69 2bvyA1 GLN 411 HB3 0.04 -0.03 -0.19 -0.04 2.02 1.79 2bvyA1 GLN 411 HG2 -0.05 -0.06 0.07 -0.04 2.40 2.32 2bvyA1 GLN 411 HG3 -0.09 -0.01 0.12 -0.04 2.39 2.37 2bvyA1 GLN 411 HE21 0.12 -0.02 0.01 -0.04 6.97 7.04 2bvyA1 GLN 411 HE22 -0.17 -0.01 0.06 -0.04 7.69 7.54 2bvyA1 VAL 415 HA 0.01 -0.04 0.23 -0.75 4.13 3.58 2bvyA1 VAL 415 HB 0.01 -0.00 0.14 -0.04 2.12 2.22 2bvyA1 VAL 415 HG13 -0.00 -0.02 -0.11 -0.04 0.97 0.80 2bvyA1 VAL 415 HG23 -0.00 -0.02 0.02 -0.04 0.95 0.91 2bvyA1 VAL 416 H 0.04 0.28 0.25 -0.55 8.24 8.26 2bvyA1 VAL 416 HA 0.04 0.05 0.47 -0.75 4.13 3.94 2bvyA1 VAL 416 HB 0.10 0.09 0.02 -0.04 2.12 2.30 2bvyA1 VAL 416 HG13 0.07 -0.02 0.08 -0.04 0.97 1.06 2bvyA1 VAL 416 HG23 0.05 -0.03 -0.11 -0.04 0.95 0.83 2bvyA1 ASP 417 H 0.03 0.22 -0.30 -0.55 8.40 7.80 2bvyA1 ASP 417 HA 0.06 0.10 0.50 -0.75 4.63 4.54 2bvyA1 ASP 417 HB2 0.18 0.11 -0.43 -0.04 2.71 2.54 2bvyA1 ASP 417 HB3 0.07 -0.12 -0.09 -0.04 2.70 2.52 2bvyA1 THR 418 H 0.03 0.27 0.13 -0.55 8.28 8.16 2bvyA1 THR 418 HA -0.04 0.27 0.92 -0.75 4.39 4.79 2bvyA1 THR 418 HB 0.01 -0.04 0.08 -0.04 4.32 4.33 2bvyA1 THR 418 HG23 -0.01 -0.01 -0.14 -0.04 1.22 1.02 2bvyA1 LEU 419 H -0.06 0.71 0.34 -0.55 8.37 8.82 2bvyA1 LEU 419 HA 0.02 0.18 1.02 -0.75 4.35 4.82 2bvyA1 LEU 419 HB2 -0.09 -0.06 0.01 -0.04 1.64 1.46 2bvyA1 LEU 419 HB3 0.00 0.07 -0.08 -0.04 1.64 1.59 2bvyA1 LEU 419 HG -0.06 -0.12 -0.27 -0.04 1.64 1.14 2bvyA1 LEU 419 HD13 -0.20 0.01 -0.16 -0.04 0.93 0.54 2bvyA1 LEU 419 HD23 0.12 0.05 -0.00 -0.04 0.89 1.02 2bvyA1 ASP 420 H 0.04 0.23 0.18 -0.55 8.40 8.30 2bvyA1 ASP 420 HA 0.03 0.14 0.98 -0.75 4.63 5.02 2bvyA1 ASP 420 HB2 0.04 -0.04 0.12 -0.04 2.71 2.79 2bvyA1 ASP 420 HB3 0.06 0.02 0.15 -0.04 2.70 2.90 2bvyA1 LEU 421 H 0.10 0.41 0.22 -0.55 8.37 8.55 2bvyA1 LEU 421 HA 0.15 0.28 0.59 -0.75 4.35 4.62 2bvyA1 LEU 421 HB2 0.34 -0.07 -0.13 -0.04 1.64 1.73 2bvyA1 LEU 421 HB3 0.30 -0.06 -0.32 -0.04 1.64 1.53 2bvyA1 LEU 421 HG 0.04 0.01 -0.30 -0.04 1.64 1.35 2bvyA1 LEU 421 HD13 0.07 0.03 -0.30 -0.04 0.93 0.70 2bvyA1 LEU 421 HD23 0.04 -0.02 -0.47 -0.04 0.89 0.40 2bvyA1 ALA 422 H 0.20 0.60 0.35 -0.55 8.40 9.01 2bvyA1 ALA 422 HA 0.18 0.10 0.84 -0.75 4.34 4.70 2bvyA1 ALA 422 HB3 0.03 0.03 0.04 -0.04 1.41 1.46 2bvyA1 TYR 423 H -0.88 0.16 0.15 -0.55 8.29 7.18 2bvyA1 TYR 423 HA -0.98 0.12 0.61 -0.75 4.56 3.56 2bvyA1 TYR 423 HB2 -2.25 0.05 0.09 -0.04 3.06 0.91 2bvyA1 TYR 423 HB3 -0.75 0.03 0.14 -0.04 2.98 2.36 2bvyA1 TYR 423 HD2 -0.49 0.09 -0.12 -0.04 7.15 6.59 2bvyA1 TYR 423 HE2 -0.09 0.12 -0.26 -0.04 6.85 6.57 2bvyA1 ASP 424 H -0.49 0.65 0.40 -0.55 8.40 8.41 2bvyA1 ASP 424 HA -0.25 0.20 0.62 -0.75 4.63 4.44 2bvyA1 ASP 424 HB2 -0.10 0.02 0.16 -0.04 2.71 2.75 2bvyA1 ASP 424 HB3 -0.04 0.04 0.10 -0.04 2.70 2.77 2bvyA1 GLY 425 H -2.11 0.04 -0.35 -0.55 8.43 5.46 2bvyA1 GLY 425 HA2 -0.57 0.04 0.22 -0.51 4.01 3.19 2bvyA1 GLY 425 HA3 -0.34 0.16 0.50 -0.51 4.01 3.82 2bvyA1 ALA 426 H -0.53 -0.21 -0.15 -0.55 8.40 6.96 2bvyA1 ALA 426 HA -0.04 0.16 0.20 -0.75 4.34 3.91 2bvyA1 ALA 426 HB3 -0.13 0.01 0.03 -0.04 1.41 1.29 2bvyA1 LEU 427 H -0.23 -0.13 0.10 -0.55 8.37 7.56 2bvyA1 LEU 427 HA -0.05 0.33 1.01 -0.75 4.35 4.88 2bvyA1 LEU 427 HB2 -0.40 0.02 -0.24 -0.04 1.64 0.97 2bvyA1 LEU 427 HB3 -1.08 -0.09 0.03 -0.04 1.64 0.46 2bvyA1 LEU 427 HG -0.27 0.10 -0.10 -0.04 1.64 1.33 2bvyA1 LEU 427 HD13 -0.67 -0.01 -0.11 -0.04 0.93 0.10 2bvyA1 LEU 427 HD23 -0.64 -0.01 -0.19 -0.04 0.89 0.00 2bvyA1 TRP 428 H -0.00 0.01 0.14 -0.55 7.97 7.58 2bvyA1 TRP 428 HA 0.24 0.41 1.12 -0.75 4.62 5.64 2bvyA1 TRP 428 HB2 0.06 -0.04 -0.08 -0.04 3.23 3.13 2bvyA1 TRP 428 HB3 0.11 0.02 -0.04 -0.04 3.23 3.28 2bvyA1 TRP 428 HD1 0.07 0.06 -0.44 -0.04 7.22 6.87 2bvyA1 TRP 428 HE1 0.18 0.04 -0.15 -0.04 10.20 10.23 2bvyA1 TRP 428 HE3 0.04 -0.02 -0.07 -0.04 7.59 7.50 2bvyA1 TRP 428 HZ2 0.21 0.04 -0.05 -0.04 7.44 7.60 2bvyA1 TRP 428 HZ3 0.04 0.01 -0.06 -0.04 7.13 7.07 2bvyA1 TRP 428 HH2 -0.10 -0.01 -0.04 -0.04 7.19 7.01 2bvyA1 TRP 429 H 0.60 0.66 0.33 -0.55 7.97 9.02 2bvyA1 TRP 429 HA 0.22 0.11 0.54 -0.75 4.62 4.73 2bvyA1 TRP 429 HB2 0.11 0.03 0.12 -0.04 3.23 3.44 2bvyA1 TRP 429 HB3 0.09 0.00 -0.16 -0.04 3.23 3.12 2bvyA1 TRP 429 HD1 0.15 0.06 -0.09 -0.04 7.22 7.31 2bvyA1 TRP 429 HE1 -0.15 0.06 -0.07 -0.04 10.20 10.00 2bvyA1 TRP 429 HE3 0.07 0.05 -0.49 -0.04 7.59 7.18 2bvyA1 TRP 429 HZ2 -0.10 0.13 -0.17 -0.04 7.44 7.26 2bvyA1 TRP 429 HZ3 0.05 0.16 0.01 -0.04 7.13 7.31 2bvyA1 TRP 429 HH2 0.01 0.19 -0.24 -0.04 7.19 7.11 2bvyA1 THR 430 H 0.15 0.69 0.26 -0.55 8.28 8.83 2bvyA1 THR 430 HA 0.11 0.46 1.23 -0.75 4.39 5.44 2bvyA1 THR 430 HB 0.04 -0.00 0.02 -0.04 4.32 4.33 2bvyA1 THR 430 HG23 0.15 -0.02 -0.31 -0.04 1.22 1.00 2bvyA1 ALA 431 H 0.05 0.35 0.19 -0.55 8.40 8.45 2bvyA1 ALA 431 HA 0.06 0.08 0.50 -0.75 4.34 4.23 2bvyA1 ALA 431 HB3 0.07 0.04 -0.06 -0.04 1.41 1.42 2bvyA1 PRO 432 HA 0.09 0.15 0.65 -0.51 4.44 4.81 2bvyA1 PRO 432 HB2 0.06 0.00 0.02 -0.04 2.28 2.33 2bvyA1 PRO 432 HB3 0.04 0.05 0.09 -0.04 2.02 2.16 2bvyA1 PRO 432 HG2 0.04 0.03 0.07 -0.04 2.03 2.13 2bvyA1 PRO 432 HG3 0.04 0.02 0.05 -0.04 2.03 2.09 2bvyA1 PRO 432 HD2 0.06 0.12 0.23 -0.04 3.68 4.05 2bvyA1 PRO 432 HD3 0.05 0.10 0.19 -0.04 3.65 3.94 2bvyA1 TRP 433 H 0.16 0.82 0.37 -0.55 7.97 8.77 2bvyA1 TRP 433 HA -0.01 0.07 0.68 -0.75 4.62 4.61 2bvyA1 TRP 433 HB2 -0.01 0.06 -0.25 -0.04 3.23 2.98 2bvyA1 TRP 433 HB3 -0.03 -0.04 -0.16 -0.04 3.23 2.97 2bvyA1 TRP 433 HD1 -0.00 -0.02 -0.08 -0.04 7.22 7.09 2bvyA1 TRP 433 HE1 0.00 0.02 -0.19 -0.04 10.20 9.99 2bvyA1 TRP 433 HE3 -0.04 -0.04 -0.27 -0.04 7.59 7.20 2bvyA1 TRP 433 HZ2 0.00 0.03 -0.19 -0.04 7.44 7.23 2bvyA1 TRP 433 HZ3 -0.04 -0.03 -0.18 -0.04 7.13 6.84 2bvyA1 TRP 433 HH2 -0.02 0.03 -0.28 -0.04 7.19 6.88 2bvyA1 SER 434 H -0.07 0.18 0.04 -0.55 8.46 8.06 2bvyA1 SER 434 HA -0.38 0.27 0.92 -0.75 4.49 4.54 2bvyA1 SER 434 HB2 -0.09 -0.08 -0.02 -0.04 3.95 3.72 2bvyA1 SER 434 HB3 -0.10 -0.04 0.18 -0.04 3.93 3.93 2bvyA1 PRO 435 HA -0.49 0.06 0.23 -0.51 4.44 3.73 2bvyA1 PRO 435 HB2 -0.38 0.05 0.03 -0.04 2.28 1.94 2bvyA1 PRO 435 HB3 -0.44 -0.01 -0.06 -0.04 2.02 1.47 2bvyA1 PRO 435 HG2 -0.80 0.15 -0.09 -0.04 2.03 1.24 2bvyA1 PRO 435 HG3 -2.83 -0.07 -0.18 -0.04 2.03 -1.10 2bvyA1 PRO 435 HD2 -0.52 0.48 0.04 -0.04 3.68 3.63 2bvyA1 PRO 435 HD3 -0.99 0.16 -0.06 -0.04 3.65 2.73 2bvyA1 TYR 445 HA 0.05 0.18 0.30 -0.75 4.56 4.34 2bvyA1 TYR 445 HB2 0.03 -0.02 0.15 -0.04 3.06 3.19 2bvyA1 TYR 445 HB3 0.02 -0.07 -0.05 -0.04 2.98 2.85 2bvyA1 TYR 445 HD2 0.03 -0.03 0.05 -0.04 7.15 7.16 2bvyA1 TYR 445 HE2 0.02 -0.03 0.06 -0.04 6.85 6.86 2bvyA1 THR 446 H 0.13 0.51 0.20 -0.55 8.28 8.57 2bvyA1 THR 446 HA 0.03 0.24 1.12 -0.75 4.39 5.03 2bvyA1 THR 446 HB 0.06 0.00 0.01 -0.04 4.32 4.35 2bvyA1 THR 446 HG23 -0.00 -0.09 -0.12 -0.04 1.22 0.96 2bvyA1 VAL 447 H -0.04 0.64 0.30 -0.55 8.24 8.59 2bvyA1 VAL 447 HA -0.15 0.23 0.96 -0.75 4.13 4.41 2bvyA1 VAL 447 HB -0.13 -0.03 0.15 -0.04 2.12 2.06 2bvyA1 VAL 447 HG13 -0.29 -0.01 -0.22 -0.04 0.97 0.40 2bvyA1 VAL 447 HG23 -0.23 0.02 -0.27 -0.04 0.95 0.43 2bvyA1 THR 448 H -0.09 0.54 0.27 -0.55 8.28 8.44 2bvyA1 THR 448 HA -0.06 0.31 1.26 -0.75 4.39 5.16 2bvyA1 THR 448 HB -0.05 -0.04 0.15 -0.04 4.32 4.34 2bvyA1 THR 448 HG23 -0.04 0.01 -0.18 -0.04 1.22 0.97 2bvyA1 ALA 449 H -0.06 0.58 0.39 -0.55 8.40 8.76 2bvyA1 ALA 449 HA -0.08 0.39 1.16 -0.75 4.34 5.04 2bvyA1 ALA 449 HB3 -0.07 -0.02 -0.07 -0.04 1.41 1.20 2bvyA1 THR 450 H -0.09 0.81 0.40 -0.55 8.28 8.86 2bvyA1 THR 450 HA -0.07 0.28 1.07 -0.75 4.39 4.91 2bvyA1 THR 450 HB -0.07 -0.05 0.10 -0.04 4.32 4.25 2bvyA1 THR 450 HG23 -0.06 -0.01 -0.24 -0.04 1.22 0.87 2bvyA1 ALA 451 H -0.11 0.93 0.33 -0.55 8.40 9.01 2bvyA1 ALA 451 HA -0.26 0.31 1.27 -0.75 4.34 4.90 2bvyA1 ALA 451 HB3 -0.25 -0.02 -0.02 -0.04 1.41 1.07 2bvyA1 THR 452 H -0.19 0.49 0.27 -0.55 8.28 8.30 2bvyA1 THR 452 HA -0.08 0.09 0.69 -0.75 4.39 4.33 2bvyA1 THR 452 HB -0.10 -0.09 0.22 -0.04 4.32 4.31 2bvyA1 THR 452 HG23 -0.05 0.00 -0.12 -0.04 1.22 1.01 2bvyA1 THR 453 H -0.07 0.88 0.38 -0.55 8.28 8.92 2bvyA1 THR 453 HA -0.06 0.18 1.11 -0.75 4.39 4.87 2bvyA1 THR 453 HB -0.09 -0.03 -0.28 -0.04 4.32 3.88 2bvyA1 THR 453 HG23 -0.05 0.01 -0.18 -0.04 1.22 0.96 2bvyA1 ALA 454 H -0.02 0.51 0.26 -0.55 8.40 8.59 2bvyA1 ALA 454 HA -0.02 0.07 0.44 -0.75 4.34 4.08 2bvyA1 ALA 454 HB3 -0.01 -0.01 0.16 -0.04 1.41 1.51 2bvyA1 ALA 455 H -0.02 0.06 -0.30 -0.55 8.40 7.59 2bvyA1 ALA 455 HA -0.01 0.14 0.58 -0.75 4.34 4.29 2bvyA1 ALA 455 HB3 -0.02 0.02 0.03 -0.04 1.41 1.40 2bvyA1 GLY 456 H -0.03 0.47 -0.67 -0.55 8.43 7.67 2bvyA1 GLY 456 HA2 -0.02 0.01 0.26 -0.51 4.01 3.75 2bvyA1 GLY 456 HA3 -0.02 0.16 0.78 -0.51 4.01 4.41 2bvyA1 THR 457 H -0.03 0.16 0.14 -0.55 8.28 8.00 2bvyA1 THR 457 HA -0.06 0.20 0.91 -0.75 4.39 4.69 2bvyA1 THR 457 HB -0.03 -0.01 0.16 -0.04 4.32 4.40 2bvyA1 THR 457 HG23 -0.04 -0.01 -0.24 -0.04 1.22 0.89 2bvyA1 LEU 458 H -0.06 0.62 0.29 -0.55 8.37 8.67 2bvyA1 LEU 458 HA -0.03 0.17 0.87 -0.75 4.35 4.61 2bvyA1 LEU 458 HB2 -0.05 -0.06 -0.01 -0.04 1.64 1.48 2bvyA1 LEU 458 HB3 -0.02 0.04 -0.04 -0.04 1.64 1.57 2bvyA1 LEU 458 HG -0.04 0.04 -0.31 -0.04 1.64 1.29 2bvyA1 LEU 458 HD13 -0.03 -0.02 -0.24 -0.04 0.93 0.60 2bvyA1 LEU 458 HD23 -0.02 0.04 -0.29 -0.04 0.89 0.59 2bvyA1 ASP 459 H -0.02 0.25 0.23 -0.55 8.40 8.30 2bvyA1 ASP 459 HA -0.04 0.34 1.02 -0.75 4.63 5.19 2bvyA1 ASP 459 HB2 -0.03 0.01 0.08 -0.04 2.71 2.72 2bvyA1 ASP 459 HB3 -0.04 -0.06 -0.09 -0.04 2.70 2.47 2bvyA1 VAL 460 H -0.03 0.49 0.36 -0.55 8.24 8.52 2bvyA1 VAL 460 HA -0.00 0.11 0.67 -0.75 4.13 4.15 2bvyA1 VAL 460 HB 0.02 0.21 -0.10 -0.04 2.12 2.21 2bvyA1 VAL 460 HG13 -0.00 -0.04 -0.22 -0.04 0.97 0.66 2bvyA1 VAL 460 HG23 0.03 -0.01 0.01 -0.04 0.95 0.94 2bvyA1 THR 461 H -0.00 0.23 0.20 -0.55 8.28 8.16 2bvyA1 THR 461 HA -0.03 0.33 1.22 -0.75 4.39 5.16 2bvyA1 THR 461 HB -0.01 -0.02 0.08 -0.04 4.32 4.34 2bvyA1 THR 461 HG23 -0.01 -0.01 -0.25 -0.04 1.22 0.91 2bvyA1 ASN 462 H -0.04 0.72 0.35 -0.55 8.53 9.01 2bvyA1 ASN 462 HA -0.01 0.10 0.97 -0.75 4.76 5.06 2bvyA1 ASN 462 HB2 -0.05 0.09 0.12 -0.04 2.88 2.99 2bvyA1 ASN 462 HB3 -0.03 0.03 -0.18 -0.04 2.79 2.57 2bvyA1 ASN 462 HD21 -0.01 0.10 0.10 -0.04 7.03 7.19 2bvyA1 ASN 462 HD22 -0.03 0.53 0.09 -0.04 7.74 8.29 2bvyA1 GLU 463 H -0.01 0.10 0.22 -0.55 8.60 8.36 2bvyA1 GLU 463 HA -0.01 0.44 1.11 -0.75 4.29 5.08 2bvyA1 GLU 463 HB2 0.02 -0.03 0.03 -0.04 2.09 2.06 2bvyA1 GLU 463 HB3 -0.00 -0.11 0.22 -0.04 1.99 2.05 2bvyA1 GLU 463 HG2 -0.04 -0.03 -0.17 -0.04 2.34 2.06 2bvyA1 GLU 463 HG3 0.03 0.20 0.01 -0.04 2.34 2.54 2bvyA1 VAL 464 H -0.07 0.68 0.25 -0.55 8.24 8.55 2bvyA1 VAL 464 HA -0.08 0.07 0.97 -0.75 4.13 4.32 2bvyA1 VAL 464 HB -0.02 0.12 -0.03 -0.04 2.12 2.16 2bvyA1 VAL 464 HG13 -0.01 -0.02 -0.36 -0.04 0.97 0.54 2bvyA1 VAL 464 HG23 0.04 0.01 -0.25 -0.04 0.95 0.71 2bvyA1 ALA 465 H -0.12 0.72 0.28 -0.55 8.40 8.74 2bvyA1 ALA 465 HA -0.58 0.14 0.94 -0.75 4.34 4.09 2bvyA1 ALA 465 HB3 -0.11 -0.00 0.01 -0.04 1.41 1.27 2bvyA1 ALA 466 H -0.07 0.12 0.20 -0.55 8.40 8.10 2bvyA1 ALA 466 HA -0.01 0.24 0.77 -0.75 4.34 4.59 2bvyA1 ALA 466 HB3 0.09 0.01 0.11 -0.04 1.41 1.58 2bvyA1 ALA 467 H -0.01 0.41 0.12 -0.55 8.40 8.37 2bvyA1 ALA 467 HA -0.00 -0.01 0.38 -0.75 4.34 3.96 2bvyA1 ALA 467 HB3 -0.02 -0.08 -0.04 -0.04 1.41 1.23